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Zinc in PDB 3f7h: 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: 3f7h 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) 25.00 / 1.80
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 88.048, 88.048, 73.321, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 17.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic (pdb code 3f7h). 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: 3f7h:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3f7h

Go back to Zinc Binding Sites List in 3f7h
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:25.4
occ:1.00
NE2 A:HIS144 2.1 23.2 1.0
SG A:CYS151 2.3 24.7 1.0
SG A:CYS127 2.3 24.8 1.0
SG A:CYS124 2.3 24.8 1.0
CE1 A:HIS144 2.9 24.2 1.0
CB A:CYS124 3.2 26.3 1.0
CB A:CYS151 3.2 25.3 1.0
CD2 A:HIS144 3.3 24.4 1.0
CB A:CYS127 3.3 25.4 1.0
N A:CYS127 3.7 24.4 1.0
CA A:CYS127 4.1 23.9 1.0
ND1 A:HIS144 4.1 23.8 1.0
CG A:HIS144 4.3 24.8 1.0
CA A:CYS151 4.5 24.6 1.0
CB A:PHE126 4.6 24.7 1.0
CA A:CYS124 4.6 24.8 1.0
C A:PHE126 4.8 23.9 1.0
CB A:PHE148 4.9 27.0 1.0
C A:CYS127 4.9 24.4 1.0
N A:PHE126 5.0 23.0 1.0

Zinc binding site 2 out of 2 in 3f7h

Go back to Zinc Binding Sites List in 3f7h
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:24.9
occ:1.00
NE2 B:HIS144 2.1 24.1 1.0
SG B:CYS151 2.3 24.0 1.0
SG B:CYS124 2.3 24.4 1.0
SG B:CYS127 2.3 25.0 1.0
CE1 B:HIS144 2.9 25.5 1.0
CB B:CYS124 3.1 24.9 1.0
CB B:CYS151 3.2 24.0 1.0
CB B:CYS127 3.2 24.4 1.0
CD2 B:HIS144 3.3 23.2 1.0
N B:CYS127 3.8 22.4 1.0
CA B:CYS127 4.1 23.5 1.0
ND1 B:HIS144 4.1 25.6 1.0
CG B:HIS144 4.3 24.7 1.0
CA B:CYS151 4.5 24.9 1.0
CA B:CYS124 4.5 23.5 1.0
CB B:PHE126 4.8 24.8 1.0
CB B:PHE148 4.9 24.4 1.0
C B:PHE126 4.9 22.6 1.0
C B:CYS127 4.9 24.2 1.0
CB B:PHE153 5.0 25.3 1.0

Reference:

F.Cohen, B.Alicke, L.O.Elliott, J.A.Flygare, T.Goncharov, S.F.Keteltas, M.C.Franklin, S.Frankovitz, J.P.Stephan, V.Tsui, D.Vucic, H.Wong, W.J.Fairbrother. Orally Bioavailable Antagonists of Inhibitor of Apoptosis Proteins Based on An Azabicyclooctane Scaffold J.Med.Chem. V. 52 1723 2009.
ISSN: ISSN 0022-2623
PubMed: 19228017
DOI: 10.1021/JM801450C
Page generated: Thu Oct 24 13:04:33 2024

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