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Iodine in PDB 6kmh: The Crystal Structure of Cask/MINT1 Complex

Enzymatic activity of The Crystal Structure of Cask/MINT1 Complex

All present enzymatic activity of The Crystal Structure of Cask/MINT1 Complex:
2.7.11.1;

Protein crystallography data

The structure of The Crystal Structure of Cask/MINT1 Complex, PDB code: 6kmh was solved by W.Li, W.Feng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.23 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 93.978, 96.321, 97.560, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 22.4

Other elements in 6kmh:

The structure of The Crystal Structure of Cask/MINT1 Complex also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the The Crystal Structure of Cask/MINT1 Complex (pdb code 6kmh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the The Crystal Structure of Cask/MINT1 Complex, PDB code: 6kmh:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 1 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I401

b:44.4
occ:0.59
 NH2 A:ARG27 3.5 43.6 1.0
O A:HOH553 3.8 48.6 1.0
CD A:ARG27 4.1 41.2 1.0
CG1 A:VAL25 4.1 39.1 1.0
CB A:VAL25 4.2 34.5 1.0
CD1 A:ILE42 4.2 34.2 1.0
CG2 A:VAL25 4.3 37.5 1.0
CZ A:ARG27 4.6 45.8 1.0
NE A:ARG27 4.9 45.5 1.0
CG A:ARG27 5.0 34.7 1.0

Iodine binding site 2 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 2 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I402

b:35.8
occ:0.75
 O A:HOH550 2.4 18.2 1.0
OG A:SER24 3.2 38.8 1.0
N A:HIS315 3.6 37.7 1.0
N A:PHE23 3.7 39.2 1.0
CB A:SER24 3.8 36.0 1.0
CD A:PRO22 3.9 46.1 1.0
C A:PHE23 4.1 38.3 1.0
CB A:PHE23 4.1 37.8 1.0
N A:SER24 4.1 35.0 1.0
CA A:PHE23 4.2 39.3 1.0
CB A:SER314 4.2 40.6 1.0
CA A:SER314 4.3 31.9 1.0
CD1 A:PHE23 4.3 40.2 1.0
N A:PRO22 4.3 42.9 1.0
CB A:HIS315 4.4 42.7 1.0
C A:SER314 4.5 41.7 1.0
O A:HIS315 4.5 52.7 1.0
CA A:HIS315 4.5 46.1 1.0
O A:PHE23 4.5 37.1 1.0
CA A:GLY21 4.6 39.1 1.0
CA A:SER24 4.6 38.7 1.0
C A:GLY21 4.7 41.7 1.0
CD1 A:PHE48 4.7 38.5 1.0
CG A:PRO22 4.7 48.2 1.0
CG A:PHE23 4.7 42.2 1.0
C A:PRO22 4.8 42.3 1.0
CE1 A:PHE48 4.8 37.6 1.0
CD A:LYS41 4.8 28.1 1.0
C A:HIS315 4.9 49.7 1.0
CB A:PRO22 4.9 39.8 1.0
CA A:PRO22 5.0 41.8 1.0

Iodine binding site 3 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 3 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I403

b:59.1
occ:0.63
 NZ A:LYS250 3.4 54.1 1.0
N A:SER243 3.8 40.0 1.0
C A:TRP242 3.8 37.4 1.0
CA A:SER243 3.9 39.9 1.0
CA A:PRO239 3.9 43.7 1.0
O A:TRP242 4.0 37.9 1.0
CB A:TRP242 4.0 36.0 1.0
CE A:LYS250 4.1 47.5 1.0
CB A:PRO239 4.2 47.5 1.0
CB A:SER243 4.4 37.6 1.0
CG A:PRO239 4.4 48.5 1.0
CA A:TRP242 4.5 35.8 1.0
N A:PRO239 4.7 51.6 1.0
O A:MET237 4.7 49.5 1.0
O A:PRO239 4.9 40.2 1.0
C A:PRO239 5.0 43.4 1.0

Iodine binding site 4 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 4 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I404

b:32.1
occ:0.83
 NH1 A:ARG302 3.6 31.3 1.0
CD2 A:HIS145 3.7 32.5 1.0
N A:HIS145 3.8 27.4 1.0
CD A:ARG302 3.8 32.6 1.0
CD A:PRO144 3.8 31.1 1.0
CG A:HIS145 3.9 37.5 1.0
N A:PRO144 4.1 31.5 1.0
CE2 A:PHE185 4.1 42.8 1.0
CB A:PRO144 4.1 36.1 1.0
CZ A:PHE185 4.2 36.4 1.0
NE2 A:HIS145 4.3 36.8 1.0
CG A:PRO144 4.3 31.1 1.0
CD A:LYS143 4.3 39.1 1.0
CB A:HIS145 4.3 34.7 1.0
CG A:LYS143 4.3 30.6 1.0
CB A:LYS143 4.4 36.0 1.0
CZ A:ARG302 4.4 35.5 1.0
CA A:PRO144 4.5 32.5 1.0
ND1 A:HIS145 4.5 35.0 1.0
NE A:ARG302 4.6 33.1 1.0
CZ A:PHE298 4.6 31.1 1.0
CA A:HIS145 4.6 33.1 1.0
C A:PRO144 4.6 32.2 1.0
CE1 A:HIS145 4.7 31.8 1.0
C A:LYS143 4.8 30.2 1.0
CG A:ARG302 4.9 33.8 1.0

Iodine binding site 5 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 5 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I405

b:52.0
occ:0.58
 CD A:LYS303 3.9 52.6 1.0
CA A:GLY306 3.9 35.8 1.0
N A:GLY306 4.0 32.6 1.0
CE A:LYS305 4.1 50.3 1.0
CB A:LYS303 4.3 37.0 1.0
CG A:LYS303 4.5 36.5 1.0
CD1 A:LEU309 4.6 37.7 1.0
NE2 A:HIS145 4.7 36.8 1.0
CB A:LYS305 4.7 37.8 1.0
C A:LYS305 4.8 36.0 1.0
CD2 A:HIS145 4.8 32.5 1.0
CD2 A:PHE317 4.9 61.5 1.0

Iodine binding site 6 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 6 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I406

b:82.6
occ:0.51
 CE A:MET186 3.8 42.7 1.0
CZ A:PHE227 4.2 56.0 1.0
CB A:ARG179 4.2 49.8 1.0
NZ A:LYS223 4.3 82.6 1.0
CE A:LYS223 4.7 82.9 1.0
CE2 A:PHE227 4.7 62.6 1.0
NE A:ARG179 4.7 54.9 1.0
CG A:PRO183 4.9 44.1 1.0
O A:ARG179 4.9 52.4 1.0
SD A:MET186 5.0 54.4 1.0

Iodine binding site 7 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 7 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I407

b:69.6
occ:0.68
 O C:HOH408 3.4 54.3 1.0
N A:GLY85 3.5 44.0 1.0
CD1 C:ILE352 3.8 40.0 1.0
N A:ASP84 3.9 47.2 1.0
OG C:SER349 3.9 50.6 1.0
CA A:GLY85 4.2 41.9 1.0
C A:SER83 4.4 51.4 1.0
CA C:SER349 4.4 51.3 1.0
CA A:ASP84 4.4 48.7 1.0
CB C:SER349 4.5 53.5 1.0
C A:ASP84 4.5 49.6 1.0
CG2 C:ILE352 4.6 43.2 1.0
N A:SER83 4.6 50.5 1.0
CA A:SER83 4.7 51.5 1.0
CB C:ILE352 4.7 46.9 1.0
OG A:SER82 4.7 49.6 1.0
CG1 C:ILE352 4.8 46.0 1.0
CB A:SER82 4.8 48.7 1.0

Iodine binding site 8 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 8 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I401

b:37.1
occ:0.77
 NH1 B:ARG302 3.6 36.7 1.0
ND1 B:HIS145 3.8 56.0 1.0
CD B:PRO144 3.8 32.7 1.0
N B:HIS145 3.9 31.6 1.0
CG B:HIS145 4.0 47.3 1.0
CZ B:PHE185 4.0 31.0 1.0
CB B:PRO144 4.0 33.0 1.0
CD B:ARG302 4.1 44.6 1.0
CG B:PRO144 4.1 31.0 1.0
CE2 B:PHE185 4.2 30.7 1.0
N B:PRO144 4.2 30.4 1.0
CE1 B:HIS145 4.2 55.1 1.0
CB B:HIS145 4.3 33.0 1.0
CD B:LYS143 4.4 31.4 1.0
CG B:LYS143 4.4 32.9 1.0
CZ B:PHE298 4.5 35.0 1.0
CD2 B:HIS145 4.6 48.3 1.0
CA B:PRO144 4.6 29.7 1.0
CB B:LYS143 4.6 33.2 1.0
CZ B:ARG302 4.6 41.9 1.0
NE2 B:HIS145 4.7 51.0 1.0
C B:PRO144 4.7 32.5 1.0
CA B:HIS145 4.7 36.1 1.0
NE B:ARG302 4.8 40.5 1.0

Iodine binding site 9 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 9 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I402

b:29.6
occ:0.74
 OG1 B:THR266 3.4 26.2 1.0
O A:HOH507 3.5 47.8 1.0
O B:HOH561 3.6 44.7 1.0
N A:LYS20 3.6 28.8 1.0
CD A:LYS305 3.7 47.1 1.0
CG A:LYS305 3.7 48.0 1.0
CA A:GLY19 4.0 32.5 1.0
CG2 B:THR266 4.2 32.4 1.0
C A:GLY19 4.2 35.3 1.0
CB B:THR266 4.3 35.1 1.0
CD1 B:TYR268 4.3 36.2 1.0
CG B:GLU269 4.4 36.7 1.0
CB A:LYS20 4.5 36.4 1.0
O A:LYS20 4.5 33.5 1.0
CB B:TYR268 4.6 29.6 1.0
CA A:LYS20 4.6 37.1 1.0
OE1 B:GLU269 4.7 36.0 1.0
CD B:GLU269 4.7 37.7 1.0
CB A:LYS305 4.7 37.8 1.0
CG B:TYR268 4.9 38.0 1.0
N B:GLU269 5.0 30.5 1.0

Iodine binding site 10 out of 12 in 6kmh

Go back to Iodine Binding Sites List in 6kmh
Iodine binding site 10 out of 12 in the The Crystal Structure of Cask/MINT1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of The Crystal Structure of Cask/MINT1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I403

b:83.9
occ:0.44
 CE1 B:TYR131 3.8 40.1 1.0
O B:HOH507 3.9 42.6 1.0
ND2 B:ASN135 4.0 46.9 1.0
CD1 B:TYR131 4.0 38.4 1.0
OD1 B:ASN135 4.7 52.7 1.0
CG B:ASN135 4.8 45.4 1.0
O D:HOH402 4.8 42.2 1.0
CD D:PRO370 4.9 63.7 1.0
O D:ILE367 5.0 65.9 1.0
CB B:ASP134 5.0 32.9 1.0

Reference:

W.Li, W.Feng. The Crystal Structure of Cask/MINT1 Complex To Be Published.
Page generated: Sun Aug 11 23:25:52 2024

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