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Zinc in PDB 2i3i: 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: 2i3i was solved by W.J.Fairbrother, M.C.Franklin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.34 / 2.30
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 87.356, 87.356, 73.196, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 22.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic (pdb code 2i3i). 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: 2i3i:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2i3i

Go back to Zinc Binding Sites List in 2i3i
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:2.0
occ:1.00
NE2 A:HIS144 2.1 2.0 1.0
SG A:CYS127 2.3 2.0 1.0
SG A:CYS124 2.3 2.0 1.0
SG A:CYS151 2.3 2.0 1.0
CE1 A:HIS144 2.8 2.0 1.0
CB A:CYS124 3.2 2.0 1.0
CB A:CYS151 3.2 2.0 1.0
CB A:CYS127 3.3 2.0 1.0
CD2 A:HIS144 3.3 2.0 1.0
N A:CYS127 3.6 2.0 1.0
ND1 A:HIS144 4.0 2.0 1.0
CA A:CYS127 4.0 2.0 1.0
CG A:HIS144 4.3 2.0 1.0
CA A:CYS151 4.6 2.0 1.0
CB A:PHE126 4.6 2.0 1.0
CA A:CYS124 4.6 2.0 1.0
C A:PHE126 4.7 2.0 1.0
CB A:PHE148 4.8 2.0 1.0
C A:CYS127 4.9 2.0 1.0
N A:PHE126 4.9 2.0 1.0
CA A:PHE126 5.0 2.0 1.0

Zinc binding site 2 out of 2 in 2i3i

Go back to Zinc Binding Sites List in 2i3i
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:2.0
occ:1.00
NE2 B:HIS144 2.1 2.0 1.0
SG B:CYS127 2.3 2.0 1.0
SG B:CYS151 2.3 2.0 1.0
SG B:CYS124 2.3 2.0 1.0
CE1 B:HIS144 2.9 2.0 1.0
CB B:CYS124 3.1 2.0 1.0
CB B:CYS151 3.2 2.0 1.0
CD2 B:HIS144 3.2 2.0 1.0
CB B:CYS127 3.3 2.0 1.0
N B:CYS127 3.7 2.0 1.0
ND1 B:HIS144 4.1 2.0 1.0
CA B:CYS127 4.1 2.0 1.0
CG B:HIS144 4.2 2.0 1.0
CA B:CYS151 4.5 2.0 1.0
CA B:CYS124 4.6 2.0 1.0
CB B:PHE126 4.7 2.0 1.0
C B:PHE126 4.8 2.0 1.0
CB B:PHE148 4.8 2.0 1.0
C B:CYS127 4.9 2.0 1.0

Reference:

K.Zobel, L.Wang, E.Varfolomeev, M.C.Franklin, L.O.Elliott, H.J.Wallweber, D.C.Okawa, J.A.Flygare, D.Vucic, W.J.Fairbrother, K.Deshayes. Design, Synthesis, and Biological Activity of A Potent Smac Mimetic That Sensitizes Cancer Cells to Apoptosis By Antagonizing Iaps. Acs Chem.Biol. V. 1 525 2006.
ISSN: ISSN 1554-8929
PubMed: 17168540
DOI: 10.1021/CB600276Q
Page generated: Wed Dec 16 03:30:44 2020

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