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Zinc in PDB 3gt9: Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic

Protein crystallography data

The structure of Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic, PDB code: 3gt9 was solved by M.C.Franklin, W.J.Fairbrother, F.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.86 / 1.70
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 87.531, 87.531, 73.464, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic (pdb code 3gt9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic, PDB code: 3gt9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3gt9

Go back to Zinc Binding Sites List in 3gt9
Zinc binding site 1 out of 2 in the Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1001

b:35.2
occ:1.00
NE2 A:HIS144 2.1 32.4 1.0
SG A:CYS151 2.3 33.9 1.0
SG A:CYS127 2.3 33.5 1.0
SG A:CYS124 2.3 34.1 1.0
CE1 A:HIS144 2.9 33.4 1.0
CB A:CYS124 3.1 34.2 1.0
CB A:CYS151 3.2 34.3 1.0
CD2 A:HIS144 3.2 33.4 1.0
CB A:CYS127 3.3 33.1 1.0
N A:CYS127 3.7 32.8 1.0
ND1 A:HIS144 4.1 33.0 1.0
CA A:CYS127 4.1 32.1 1.0
CG A:HIS144 4.3 33.4 1.0
CA A:CYS151 4.5 33.8 1.0
CB A:PHE126 4.6 33.8 1.0
CA A:CYS124 4.6 32.4 1.0
C A:PHE126 4.8 33.1 1.0
CB A:PHE148 4.9 34.8 1.0
C A:CYS127 4.9 31.7 1.0
N A:PHE126 5.0 33.0 1.0

Zinc binding site 2 out of 2 in 3gt9

Go back to Zinc Binding Sites List in 3gt9
Zinc binding site 2 out of 2 in the Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1001

b:35.2
occ:1.00
NE2 B:HIS144 2.1 34.2 1.0
SG B:CYS151 2.3 33.6 1.0
SG B:CYS124 2.3 34.0 1.0
SG B:CYS127 2.3 33.7 1.0
CE1 B:HIS144 2.9 34.5 1.0
CB B:CYS124 3.1 34.2 1.0
CB B:CYS151 3.2 33.4 1.0
CD2 B:HIS144 3.2 34.2 1.0
CB B:CYS127 3.3 33.8 1.0
N B:CYS127 3.7 32.3 1.0
CA B:CYS127 4.1 32.9 1.0
ND1 B:HIS144 4.1 34.2 1.0
CG B:HIS144 4.3 34.0 1.0
CA B:CYS151 4.5 33.6 1.0
CA B:CYS124 4.6 32.9 1.0
CB B:PHE126 4.7 33.1 1.0
CB B:PHE148 4.8 33.1 1.0
C B:PHE126 4.9 32.0 1.0
C B:CYS127 4.9 33.1 1.0
CB B:PHE153 5.0 35.4 1.0

Reference:

F.Cohen, M.F.Koehler, P.Bergeron, L.O.Elliott, J.A.Flygare, M.C.Franklin, L.Gazzard, S.F.Keteltas, K.Lau, C.Q.Ly, V.Tsui, W.J.Fairbrother. Antagonists of Inhibitor of Apoptosis Proteins Based on Thiazole Amide Isosteres. Bioorg.Med.Chem.Lett. V. 20 2229 2010.
ISSN: ISSN 0960-894X
PubMed: 20189383
DOI: 10.1016/J.BMCL.2010.02.021
Page generated: Wed Dec 16 04:21:33 2020

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