Atomistry » Iodine » PDB 3oth-3rtn » 3qgn
Atomistry »
  Iodine »
    PDB 3oth-3rtn »
      3qgn »

Iodine in PDB 3qgn: The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold

Enzymatic activity of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold

All present enzymatic activity of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold:
3.4.21.5;

Protein crystallography data

The structure of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold, PDB code: 3qgn was solved by W.Niu, D.Gohara, Z.Chen, E.Di Cera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.00 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 122.179, 47.980, 52.011, 90.00, 94.31, 90.00
R / Rfree (%) 18.9 / 24

Other elements in 3qgn:

The structure of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold (pdb code 3qgn). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold, PDB code: 3qgn:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in 3qgn

Go back to Iodine Binding Sites List in 3qgn
Iodine binding site 1 out of 6 in the The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I402

b:63.2
occ:0.50
 O A:HOH150 2.6 66.7 1.0
N A:CYS1 3.4 40.3 1.0
CG B:PRO120 3.5 25.5 1.0
C A:ASP1A 3.5 41.5 1.0
N A:ASP1A 3.6 51.5 1.0
CB A:ASP1A 3.7 48.1 1.0
CA A:ASP1A 3.8 46.7 1.0
CE2 B:PHE114 3.8 30.8 1.0
CA A:CYS1 4.0 36.9 1.0
CD B:PRO120 4.1 24.8 1.0
O A:ASP1A 4.1 38.5 1.0
O A:GLU1C 4.1 56.7 1.0
NE2 B:HIS119 4.3 34.1 1.0
C A:GLU1C 4.3 61.0 1.0
CB A:GLU1C 4.3 65.2 1.0
CD2 B:PHE114 4.5 32.3 1.0
CZ B:PHE114 4.6 29.7 1.0
CE1 B:HIS119 4.6 33.8 1.0
CB A:CYS1 4.6 39.0 1.0
OE1 A:GLU1C 4.7 73.0 1.0
CA A:GLU1C 4.8 64.3 1.0
N A:ALA1B 4.8 63.4 1.0
CB B:PRO120 4.8 23.0 1.0
C A:ALA1B 4.9 56.3 1.0
CG A:ASP1A 4.9 48.2 1.0
N A:GLU1C 5.0 61.4 1.0
OD2 A:ASP1A 5.0 48.3 1.0
CD2 B:HIS119 5.0 31.5 1.0

Iodine binding site 2 out of 6 in 3qgn

Go back to Iodine Binding Sites List in 3qgn
Iodine binding site 2 out of 6 in the The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I401

b:44.0
occ:0.60
 O B:HOH366 3.4 62.1 1.0
N B:MET84 3.6 37.4 1.0
CB B:LYS109 4.0 42.8 1.0
O B:HOH272 4.0 38.0 1.0
O B:HOH361 4.1 56.1 1.0
NZ B:LYS110 4.1 53.2 1.0
CA B:SER83 4.2 36.0 1.0
CB B:MET84 4.2 41.0 1.0
CA B:MET84 4.4 38.2 1.0
C B:SER83 4.4 35.9 1.0
CB B:SER83 4.5 34.4 1.0
O B:MET84 4.5 35.1 1.0
N B:LYS110 4.6 41.2 1.0
CG B:MET84 4.6 45.9 1.0
SD B:MET84 4.7 59.9 1.0
CB B:LYS110 4.7 43.5 1.0
O B:ILE82 4.8 37.7 1.0
CD B:LYS109 4.8 51.5 1.0
C B:MET84 4.9 36.5 1.0
CA B:LYS109 4.9 41.2 1.0
O B:HOH291 4.9 47.5 1.0
CD B:LYS110 4.9 52.0 1.0

Iodine binding site 3 out of 6 in 3qgn

Go back to Iodine Binding Sites List in 3qgn
Iodine binding site 3 out of 6 in the The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I403

b:54.6
occ:0.50
 O B:HOH339 3.4 51.8 1.0
O B:HOH12 3.6 27.4 1.0
NH2 B:ARG165 3.6 39.7 1.0
CB B:PHE181 4.0 27.9 1.0
CG2 B:ILE162 4.2 23.2 1.0
O B:LEU130 4.3 33.4 1.0
NE B:ARG165 4.4 42.9 1.0
CZ B:ARG165 4.5 42.2 1.0
C B:LEU130 4.7 32.1 1.0
CB B:LEU130 4.7 32.9 1.0
CG B:LEU130 4.9 33.8 1.0
CG B:PHE181 4.9 25.2 1.0
O B:VAL163 5.0 30.3 1.0

Iodine binding site 4 out of 6 in 3qgn

Go back to Iodine Binding Sites List in 3qgn
Iodine binding site 4 out of 6 in the The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I404

b:57.2
occ:0.50
 O B:HOH317 3.4 0.4 1.0
N B:TYR76 3.6 74.4 1.0
O B:HOH10 3.9 65.1 1.0
CA B:ARG75 4.1 78.0 1.0
C B:ARG75 4.2 72.1 1.0
CB B:TYR76 4.4 74.4 1.0
CA B:TYR76 4.6 69.6 1.0
O B:THR74 4.7 93.4 1.0
N B:ARG75 4.8 79.2 1.0

Iodine binding site 5 out of 6 in 3qgn

Go back to Iodine Binding Sites List in 3qgn
Iodine binding site 5 out of 6 in the The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I405

b:55.8
occ:0.50
 CG B:LYS236 3.8 45.6 1.0
NZ B:LYS236 4.1 56.8 1.0
CD B:LYS236 4.5 51.7 1.0
CE B:LYS236 4.6 53.6 1.0
CB B:LYS236 4.9 40.0 1.0
O B:HOH341 5.0 43.5 1.0

Iodine binding site 6 out of 6 in 3qgn

Go back to Iodine Binding Sites List in 3qgn
Iodine binding site 6 out of 6 in the The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of The Allosteric E*-E Equilibrium Is A Key Property of the Trypsin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I406

b:66.5
occ:0.50
 N B:GLY246 3.9 81.8 1.0
N B:GLU247 4.0 96.0 1.0
CA B:PHE245 4.1 77.3 1.0
CB B:GLU247 4.1 0.2 1.0
OE2 B:GLU86 4.2 51.3 1.0
CB B:PHE245 4.2 76.2 1.0
CG B:GLU247 4.3 0.7 1.0
C B:PHE245 4.4 80.0 1.0
CD1 B:PHE245 4.4 81.5 1.0
NZ B:LYS107 4.4 46.0 1.0
CA B:GLU247 4.6 0.2 1.0
CE B:LYS107 4.8 44.5 1.0
CG B:PHE245 4.9 78.3 1.0
CA B:GLY246 4.9 88.6 1.0
C B:GLY246 4.9 95.9 1.0

Reference:

W.Niu, Z.Chen, P.S.Gandhi, A.D.Vogt, N.Pozzi, L.A.Pelc, F.Zapata, E.Di Cera. Crystallographic and Kinetic Evidence of Allostery in A Trypsin-Like Protease. Biochemistry V. 50 6301 2011.
ISSN: ISSN 0006-2960
PubMed: 21707111
DOI: 10.1021/BI200878C
Page generated: Sun Aug 11 16:14:59 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy