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Iodine in PDB 4hi9: 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974

Enzymatic activity of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974

All present enzymatic activity of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974:
2.7.11.1;

Protein crystallography data

The structure of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974, PDB code: 4hi9 was solved by A.L.Stiegler, J.Jakoncic, V.Stojanoff, B.P.Chiswell, D.A.Calderwood, T.J.Boggon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.66 / 1.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 37.144, 41.775, 46.798, 78.67, 68.94, 85.81
R / Rfree (%) 17.5 / 19.8

Other elements in 4hi9:

The structure of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 (pdb code 4hi9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 10 binding sites of Iodine where determined in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974, PDB code: 4hi9:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 10 in 4hi9

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Iodine binding site 1 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I202

b:23.8
occ:0.58
 H A:VAL115 3.0 22.4 1.0
HG23 A:VAL115 3.0 27.0 1.0
HB2 A:GLN114 3.1 29.5 1.0
HB3 A:GLN112 3.2 22.1 1.0
H A:GLN114 3.3 23.7 1.0
O A:HOH399 3.3 52.6 1.0
HA A:GLN112 3.4 20.3 1.0
OE1 A:GLN114 3.4 37.5 1.0
N A:VAL115 3.7 18.7 1.0
C A:GLN112 3.8 17.7 1.0
CA A:GLN112 3.9 16.9 1.0
CG2 A:VAL115 3.9 22.5 1.0
HA2 A:GLY78 3.9 24.4 1.0
N A:GLN114 3.9 19.7 1.0
HB A:VAL115 3.9 22.9 1.0
CB A:GLN112 4.0 18.4 1.0
CB A:GLN114 4.0 24.6 1.0
HB2 A:ARG80 4.1 31.1 1.0
O A:GLY78 4.1 23.6 1.0
HG21 A:VAL115 4.1 27.0 1.0
H A:ASP113 4.1 22.0 1.0
N A:ASP113 4.1 18.3 1.0
HA3 A:GLY78 4.1 24.4 1.0
O A:GLN112 4.2 18.4 1.0
OE1 A:GLN112 4.2 22.2 1.0
CA A:GLN114 4.3 21.3 1.0
CB A:VAL115 4.3 19.1 1.0
CA A:GLY78 4.4 20.3 1.0
CD A:GLN114 4.4 32.5 1.0
C A:GLN114 4.5 19.8 1.0
HD2 A:ARG80 4.5 35.0 1.0
HB2 A:GLN112 4.5 22.1 1.0
C A:GLY78 4.5 21.5 1.0
HG22 A:VAL115 4.6 27.0 1.0
CA A:VAL115 4.6 18.5 1.0
HB3 A:GLN114 4.6 29.5 1.0
CG A:GLN114 4.8 27.9 1.0
C A:ASP113 4.8 19.1 1.0
CD A:GLN112 5.0 19.6 1.0
CB A:ARG80 5.0 25.9 1.0

Iodine binding site 2 out of 10 in 4hi9

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Iodine binding site 2 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I203

b:27.1
occ:0.49
 HB3 A:ALA48 3.0 27.2 1.0
HB3 A:ARG46 3.0 23.5 1.0
O A:HOH381 3.0 40.3 1.0
HG23 A:VAL49 3.1 27.1 1.0
H A:VAL49 3.3 21.9 1.0
H A:ALA48 3.3 24.8 1.0
HA A:ARG46 3.4 23.5 1.0
HA3 A:GLY11 3.6 27.1 1.0
HD2 A:ARG46 3.7 26.4 1.0
HA2 A:GLY11 3.7 27.1 1.0
CB A:ARG46 3.8 19.6 1.0
CB A:ALA48 3.8 22.7 1.0
CA A:ARG46 3.9 19.6 1.0
N A:ALA48 3.9 20.7 1.0
O A:GLY11 3.9 23.9 1.0
C A:ARG46 3.9 19.2 1.0
CG2 A:VAL49 4.0 22.6 1.0
N A:VAL49 4.0 18.3 1.0
CA A:GLY11 4.0 22.6 1.0
O A:HOH454 4.1 47.2 1.0
HB2 A:ALA48 4.1 27.2 1.0
HG21 A:VAL49 4.2 27.1 1.0
HB2 A:ALA13 4.2 25.3 1.0
HB A:VAL49 4.2 22.5 1.0
N A:SER47 4.2 19.9 0.8
N A:SER47 4.3 21.5 0.2
H A:SER47 4.3 23.9 0.8
O A:ARG46 4.3 19.6 1.0
H A:SER47 4.3 25.8 0.2
CA A:ALA48 4.3 21.3 1.0
C A:GLY11 4.4 22.6 1.0
HB2 A:ARG46 4.5 23.5 1.0
CD A:ARG46 4.5 22.0 1.0
HB1 A:ALA48 4.5 27.2 1.0
CB A:VAL49 4.6 18.7 1.0
C A:ALA48 4.7 19.6 1.0
HG22 A:VAL49 4.7 27.1 1.0
CG A:ARG46 4.7 21.2 1.0
HD3 A:ARG46 4.7 26.4 1.0
O A:HOH429 4.7 37.8 1.0
O A:HOH453 4.8 45.5 1.0
C A:SER47 4.9 20.2 0.8
C A:SER47 4.9 22.4 0.2
HG3 A:ARG46 4.9 25.5 1.0
CA A:VAL49 4.9 18.1 1.0

Iodine binding site 3 out of 10 in 4hi9

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Iodine binding site 3 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I204

b:26.9
occ:0.41
 OG1 A:THR167 3.3 24.5 1.0
HB A:THR167 3.4 27.5 1.0
HG1 A:THR167 3.4 29.4 1.0
O A:HOH371 3.6 31.3 1.0
HG21 A:THR167 3.7 28.8 1.0
CB A:THR167 3.8 22.9 1.0
HE2 A:PHE168 4.1 43.6 1.0
CG2 A:THR167 4.3 24.0 1.0
CE2 A:PHE168 4.7 36.3 1.0
H A:THR167 4.8 24.6 1.0
HG23 A:THR167 4.9 28.8 1.0
HG22 A:THR167 4.9 28.8 1.0

Iodine binding site 4 out of 10 in 4hi9

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Iodine binding site 4 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I205

b:32.7
occ:0.30
 HA B:CYS13 2.9 38.3 1.0
O A:HOH402 3.0 41.0 1.0
HA A:TRP110 3.5 20.9 1.0
O A:TRP110 3.5 20.8 1.0
C A:TRP110 3.6 18.5 1.0
HA3 A:GLY111 3.6 23.5 1.0
HE3 A:TRP110 3.6 23.3 1.0
HB2 B:CYS13 3.6 36.9 1.0
CA B:CYS13 3.8 31.9 1.0
O A:HOH340 3.9 34.5 1.0
HH12 B:ARG12 3.9 24.9 1.0
HE3 A:LYS141 4.0 48.6 1.0
N A:GLY111 4.1 18.1 1.0
CA A:TRP110 4.1 17.5 1.0
O A:PHE109 4.1 18.1 1.0
CB B:CYS13 4.2 30.7 1.0
O B:CYS13 4.2 34.9 1.0
O B:ARG12 4.2 28.5 1.0
O A:HOH421 4.3 38.1 1.0
CA A:GLY111 4.3 19.6 1.0
NH1 B:ARG12 4.3 20.7 1.0
HB3 B:CYS13 4.4 36.9 1.0
C B:CYS13 4.4 33.5 1.0
CE3 A:TRP110 4.4 19.4 1.0
HH22 B:ARG12 4.5 26.8 1.0
H A:GLY111 4.5 21.7 1.0
HH11 B:ARG12 4.7 24.9 1.0
HZ3 A:TRP110 4.8 24.7 1.0
N B:CYS13 4.8 29.5 1.0
NH2 B:ARG12 4.8 22.3 1.0
CZ B:ARG12 4.9 20.5 1.0
C B:ARG12 4.9 28.1 1.0
HG2 B:ARG12 4.9 27.8 1.0
HA2 A:GLY111 4.9 23.5 1.0
HB3 A:TRP110 4.9 21.3 1.0
C A:PHE109 5.0 17.2 1.0
CE A:LYS141 5.0 40.5 1.0
N A:TRP110 5.0 16.2 1.0

Iodine binding site 5 out of 10 in 4hi9

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Iodine binding site 5 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I206

b:27.7
occ:0.23
 HG3 A:GLN7 3.0 31.6 1.0
HD1 A:TRP19 3.4 25.9 1.0
O A:HOH316 3.4 25.4 1.0
HA A:ILE4 3.7 26.0 1.0
HE22 A:GLN7 3.7 44.6 1.0
HB2 A:TRP19 3.8 22.3 1.0
CG A:GLN7 3.9 26.3 1.0
HG2 A:GLN7 3.9 31.6 1.0
HA A:ASP3 3.9 40.4 1.0
CD1 A:TRP19 3.9 21.6 1.0
N A:ILE4 4.0 24.0 1.0
C A:ASP3 4.1 25.6 1.0
HB1 A:ALA15 4.1 23.0 1.0
H A:ILE4 4.2 28.8 1.0
CA A:ILE4 4.3 21.7 1.0
NE2 A:GLN7 4.3 37.1 1.0
O A:ASP3 4.4 24.4 1.0
HB A:ILE4 4.4 26.1 1.0
CA A:ASP3 4.5 33.6 1.0
HD13 A:ILE4 4.5 27.3 1.0
CD A:GLN7 4.5 31.8 1.0
CG A:TRP19 4.6 18.9 1.0
CB A:TRP19 4.6 18.6 1.0
HD12 A:ILE4 4.6 27.3 1.0
O A:HOH394 4.6 37.4 1.0
NE1 A:TRP19 4.8 21.8 1.0
HB2 A:GLN7 4.8 26.8 1.0
O A:ALA15 4.8 18.3 1.0
HE1 A:TRP19 4.9 26.2 1.0
CB A:ILE4 4.9 21.8 1.0
HE21 A:GLN7 4.9 44.6 1.0
CB A:GLN7 5.0 22.3 1.0

Iodine binding site 6 out of 10 in 4hi9

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Iodine binding site 6 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I207

b:36.2
occ:0.37
 OD1 A:ASP81 2.8 43.6 0.4
HB2 A:ASP81 2.9 40.5 0.6
HB3 A:HIS79 3.0 22.6 1.0
O A:HOH445 3.0 44.9 1.0
H A:ILE82 3.2 26.6 1.0
HG A:SER47 3.3 35.7 0.8
H A:ASP81 3.3 31.6 0.4
HG13 A:ILE82 3.3 26.1 1.0
HD12 A:ILE82 3.3 28.5 1.0
H A:ASP81 3.3 30.5 0.6
HB3 A:ASP81 3.4 42.2 0.4
CG A:ASP81 3.4 42.4 0.4
OG A:SER47 3.5 29.8 0.8
HA A:HIS79 3.6 23.9 1.0
HB3 A:SER47 3.8 30.5 0.2
CB A:ASP81 3.8 33.8 0.6
CB A:ASP81 3.8 35.2 0.4
CB A:HIS79 3.8 18.8 1.0
CD1 A:ILE82 3.9 23.7 1.0
N A:ASP81 3.9 26.3 0.4
N A:ASP81 3.9 25.4 0.6
N A:ILE82 3.9 22.2 1.0
HD11 A:ILE82 4.0 28.5 1.0
CG1 A:ILE82 4.0 21.7 1.0
HD1 A:HIS79 4.0 25.5 1.0
CA A:HIS79 4.0 19.9 1.0
C A:HIS79 4.0 20.3 1.0
HB A:ILE82 4.1 23.4 1.0
HB3 A:ASP81 4.2 40.5 0.6
HA2 A:GLY45 4.2 24.0 1.0
OD2 A:ASP81 4.2 46.1 0.4
CA A:ASP81 4.3 28.3 0.4
CA A:ASP81 4.3 26.7 0.6
H A:ARG80 4.3 26.3 1.0
N A:ARG80 4.3 21.9 1.0
O A:HOH419 4.4 37.8 1.0
O A:HIS79 4.4 20.6 1.0
ND1 A:HIS79 4.4 21.2 1.0
CG A:HIS79 4.5 18.8 1.0
O A:GLY45 4.5 22.2 1.0
CB A:ILE82 4.5 19.5 1.0
HB2 A:HIS79 4.5 22.6 1.0
C A:ASP81 4.6 26.0 0.4
C A:ASP81 4.6 25.2 0.6
HA3 A:GLY45 4.6 24.0 1.0
HB2 A:ASP81 4.7 42.2 0.4
OD1 A:ASP81 4.7 45.4 0.6
CB A:SER47 4.7 25.4 0.2
HD13 A:ILE82 4.8 28.5 1.0
HG12 A:ILE82 4.8 26.1 1.0
CA A:GLY45 4.8 20.0 1.0
CB A:SER47 4.8 26.4 0.8
CG A:ASP81 4.8 42.7 0.6
CA A:ILE82 4.8 20.2 1.0
C A:ARG80 4.9 24.7 1.0
C A:GLY45 5.0 20.2 1.0

Iodine binding site 7 out of 10 in 4hi9

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Iodine binding site 7 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I208

b:34.3
occ:0.29
 OD2 A:ASP81 2.7 46.1 0.4
HB2 A:SER47 3.1 30.5 0.2
HB2 A:LYS85 3.1 31.1 1.0
HB3 A:SER47 3.2 31.7 0.8
HG2 A:LYS85 3.2 37.2 1.0
HE3 A:LYS85 3.6 38.4 1.0
HB2 A:GLU51 3.7 22.0 1.0
HA A:ILE82 3.8 24.3 1.0
O A:SER47 3.8 23.0 0.2
O A:SER47 3.8 20.8 0.8
CB A:LYS85 3.8 25.9 1.0
CG A:ASP81 3.8 42.4 0.4
HA A:SER47 3.9 25.5 0.8
CG A:LYS85 3.9 31.0 1.0
HB3 A:LYS85 3.9 31.1 1.0
HA A:SER47 3.9 27.9 0.2
CB A:SER47 3.9 25.4 0.2
HD3 A:LYS85 4.0 39.3 1.0
HB3 A:ASP81 4.0 40.5 0.6
HG12 A:ILE82 4.0 26.1 1.0
CB A:SER47 4.0 26.4 0.8
HB3 A:SER47 4.1 30.5 0.2
HG13 A:ILE82 4.1 26.1 1.0
O A:ASP81 4.2 26.0 0.4
O A:HOH360 4.2 41.0 1.0
HB A:VAL50 4.2 21.3 1.0
O A:ASP81 4.3 24.9 0.6
CD A:LYS85 4.3 32.8 1.0
CA A:SER47 4.3 23.3 0.2
CA A:SER47 4.3 21.3 0.8
C A:SER47 4.3 22.4 0.2
CE A:LYS85 4.3 32.0 1.0
C A:SER47 4.3 20.2 0.8
OD1 A:ASP81 4.4 43.6 0.4
H A:GLU51 4.5 20.9 1.0
CG1 A:ILE82 4.5 21.7 1.0
HG12 A:VAL50 4.5 22.5 1.0
OG A:SER47 4.6 29.8 0.8
C A:ASP81 4.6 26.0 0.4
C A:ASP81 4.6 25.2 0.6
O A:HOH461 4.6 46.9 1.0
CA A:ILE82 4.6 20.2 1.0
CB A:GLU51 4.6 18.4 1.0
HG11 A:VAL50 4.7 22.5 1.0
HB2 A:SER47 4.7 31.7 0.8
HG A:SER47 4.7 35.7 0.8
HG3 A:LYS85 4.7 37.2 1.0
N A:ILE82 4.8 22.2 1.0
HE2 A:LYS85 4.9 38.4 1.0
N A:GLU51 4.9 17.4 1.0
CB A:ASP81 4.9 33.8 0.6
CG1 A:VAL50 4.9 18.8 1.0
HB3 A:GLU51 4.9 22.0 1.0

Iodine binding site 8 out of 10 in 4hi9

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Iodine binding site 8 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I209

b:28.5
occ:0.23
 O A:HOH365 2.7 37.2 1.0
HD2 A:ARG151 2.8 39.4 0.6
HD2 A:ARG151 2.9 40.5 0.4
O A:HOH366 3.0 33.2 1.0
HA A:ALA121 3.2 26.7 1.0
HB3 A:ARG151 3.3 31.2 0.6
HB3 A:ARG151 3.3 33.8 0.4
HB2 A:ALA121 3.4 28.5 1.0
HG2 A:MET155 3.6 40.8 1.0
HG3 A:MET155 3.6 40.8 1.0
CD A:ARG151 3.7 32.8 0.6
HH11 A:ARG151 3.8 47.1 0.6
HE2 A:MET155 3.8 54.0 1.0
CD A:ARG151 3.9 33.8 0.4
CG A:MET155 3.9 34.0 1.0
CB A:ALA121 4.0 23.8 1.0
CA A:ALA121 4.0 22.2 1.0
HD3 A:ARG151 4.0 39.4 0.6
HB1 A:ALA121 4.0 28.5 1.0
CB A:ARG151 4.2 28.1 0.4
CB A:ARG151 4.2 26.0 0.6
SD A:MET155 4.2 41.1 1.0
HG12 A:VAL120 4.2 26.0 1.0
HD3 A:ARG151 4.4 40.5 0.4
HG3 A:ARG151 4.4 37.3 0.4
CG A:ARG151 4.4 31.1 0.4
CG A:ARG151 4.4 29.4 0.6
NH1 A:ARG151 4.4 39.3 0.6
N A:ALA121 4.4 20.8 1.0
O A:HOH456 4.5 52.1 1.0
CE A:MET155 4.5 45.0 1.0
HE A:ARG151 4.5 43.5 0.4
O A:HOH440 4.5 48.3 1.0
HG3 A:ARG151 4.6 35.2 0.6
HA A:ARG151 4.6 28.5 0.6
O A:ARG151 4.6 22.3 0.6
NE A:ARG151 4.6 36.3 0.4
HA A:ARG151 4.6 30.4 0.4
O A:ARG151 4.6 23.6 0.4
NE A:ARG151 4.6 36.1 0.6
H A:ALA121 4.6 25.0 1.0
HB2 A:ARG151 4.8 31.2 0.6
HB2 A:ARG151 4.8 33.8 0.4
HB3 A:ALA121 4.8 28.5 1.0
CA A:ARG151 4.9 23.7 0.6
CA A:ARG151 4.9 25.3 0.4
CZ A:ARG151 4.9 39.0 0.6
HH12 A:ARG151 5.0 47.1 0.6
C A:VAL120 5.0 20.1 1.0
C A:ARG151 5.0 23.1 0.4
C A:ARG151 5.0 22.1 0.6

Iodine binding site 9 out of 10 in 4hi9

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Iodine binding site 9 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I103

b:20.9
occ:0.69
 HZ3 B:LYS57 3.1 34.0 1.0
HG3 B:ARG12 3.2 27.8 1.0
HE2 B:TYR31 3.3 29.4 1.0
HA B:ARG12 3.4 30.5 1.0
HZ2 B:LYS57 3.4 34.0 1.0
O B:HOH201 3.5 22.0 1.0
O B:HOH226 3.5 31.5 1.0
HB2 B:ARG12 3.6 27.8 1.0
NZ B:LYS57 3.7 28.4 1.0
HG3 B:GLU11 3.7 41.1 1.0
HG3 B:LYS57 3.8 28.4 1.0
O B:HOH222 3.8 32.0 1.0
O B:HOH207 3.9 36.7 1.0
HH2 A:TRP110 4.0 23.6 1.0
CG B:ARG12 4.0 23.1 1.0
HD2 B:LYS57 4.0 31.5 1.0
HA B:ARG56 4.1 23.2 1.0
CB B:ARG12 4.1 23.2 1.0
CA B:ARG12 4.1 25.4 1.0
O B:GLY55 4.1 24.9 1.0
HZ1 B:LYS57 4.2 34.0 1.0
CE2 B:TYR31 4.2 24.5 1.0
OH B:TYR31 4.4 26.7 1.0
O B:HOH250 4.5 38.2 1.0
H B:LYS57 4.6 23.1 1.0
CG B:LYS57 4.6 23.7 1.0
HG2 B:ARG12 4.6 27.8 1.0
N B:ARG12 4.6 25.8 1.0
CD B:LYS57 4.6 26.3 1.0
CG B:GLU11 4.7 34.2 1.0
O B:GLU11 4.7 27.1 1.0
CE B:LYS57 4.8 28.3 1.0
HG2 B:GLU11 4.8 41.1 1.0
HH B:TYR31 4.8 32.0 1.0
C B:GLU11 4.8 27.0 1.0
HB2 B:LYS57 4.8 24.6 1.0
CZ B:TYR31 4.8 24.0 1.0
CH2 A:TRP110 4.9 19.6 1.0
HD3 B:ARG12 4.9 27.8 1.0
HZ3 A:TRP110 4.9 24.7 1.0
CD B:ARG12 5.0 23.1 1.0

Iodine binding site 10 out of 10 in 4hi9

Go back to Iodine Binding Sites List in 4hi9
Iodine binding site 10 out of 10 in the 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I104

b:33.0
occ:0.25
 HD21 B:LEU30 3.1 32.6 1.0
HD21 B:ASN25 3.3 29.2 1.0
HD22 B:ASN25 3.7 29.2 1.0
HD11 B:LEU30 3.8 33.5 1.0
ND2 B:ASN25 3.8 24.3 1.0
CD2 B:LEU30 4.1 27.2 1.0
HD13 B:LEU0 4.3 41.1 1.0
HD22 B:LEU30 4.3 32.6 1.0
HD11 B:LEU0 4.5 41.1 1.0
HD12 B:LEU0 4.6 41.1 1.0
HD23 B:LEU30 4.6 32.6 1.0
CD1 B:LEU30 4.6 27.9 1.0
CD1 B:LEU0 4.7 34.2 1.0
CG B:LEU30 4.8 24.6 1.0
HG B:LEU30 4.9 29.6 1.0
HD13 B:LEU30 4.9 33.5 1.0
HB2 B:ASN25 5.0 25.2 1.0

Reference:

A.L.Stiegler, J.Jakoncic, V.Stojanoff, B.P.Chiswell, D.A.Calderwood, T.J.Boggon. 1.2 Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain Collected at Wavelength 0.91974 To Be Published.
Page generated: Sun Aug 11 17:53:09 2024

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