Atomistry » Copper » PDB 2z7y-3aws » 4fea
Atomistry »
  Copper »
    PDB 2z7y-3aws »
      4fea »

Copper in PDB 4fea: Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor

Enzymatic activity of Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor

All present enzymatic activity of Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor:
3.4.22.60;

Protein crystallography data

The structure of Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor, PDB code: 4fea was solved by V.Kabaleeswaran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 76.83 / 3.79
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.720, 88.720, 185.660, 90.00, 90.00, 120.00
R / Rfree (%) 23.6 / 28.6

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor (pdb code 4fea). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor, PDB code: 4fea:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 4fea

Go back to Copper Binding Sites List in 4fea
Copper binding site 1 out of 2 in the Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu701

b:1.0
occ:1.00
CU1 A:0TE701 0.0 1.0 1.0
N3 A:0TE701 2.0 0.0 1.0
N1 A:0TE701 2.1 0.9 1.0
S1 A:0TE701 2.2 0.5 1.0
CL1 A:0TE701 2.3 0.4 1.0
SG A:CYS290 2.8 95.5 1.0
C6 A:0TE701 2.9 0.3 1.0
C5 A:0TE701 2.9 0.6 1.0
N4 A:0TE701 3.0 0.8 1.0
C12 A:0TE701 3.0 0.6 1.0
C1 A:0TE701 3.1 0.1 1.0
CB A:CYS290 3.5 90.3 1.0
C4 A:0TE701 4.3 0.6 1.0
C2 A:0TE701 4.4 0.3 1.0
C7 A:0TE701 4.4 0.8 1.0
N A:CYS290 4.7 0.7 1.0
CA A:CYS290 4.7 99.8 1.0
S2 A:0TE701 4.8 0.4 1.0
C3 A:0TE701 4.8 0.1 1.0

Copper binding site 2 out of 2 in 4fea

Go back to Copper Binding Sites List in 4fea
Copper binding site 2 out of 2 in the Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Caspase-7 in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu701

b:0.1
occ:1.00
CU1 B:0TE701 0.0 0.1 1.0
N3 B:0TE701 2.0 0.9 1.0
N1 B:0TE701 2.1 0.4 1.0
S1 B:0TE701 2.2 0.5 1.0
CL1 B:0TE701 2.3 0.1 1.0
SG B:CYS290 2.8 0.1 1.0
C6 B:0TE701 2.9 0.9 1.0
C5 B:0TE701 2.9 0.4 1.0
C12 B:0TE701 3.0 0.8 1.0
N4 B:0TE701 3.0 0.5 1.0
C1 B:0TE701 3.1 0.7 1.0
C4 B:0TE701 4.3 0.5 1.0
C7 B:0TE701 4.4 0.4 1.0
C2 B:0TE701 4.4 0.7 1.0
CB B:CYS290 4.5 0.2 1.0
S2 B:0TE701 4.8 0.1 1.0
C3 B:0TE701 4.8 0.8 1.0
CB B:TYR223 4.9 69.7 1.0

Reference:

T.Feldman, V.Kabaleeswaran, S.B.Jang, C.Antczak, H.Djaballah, H.Wu, X.Jiang. A Class of Allosteric Caspase Inhibitors Identified By High-Throughput Screening. Mol.Cell V. 47 585 2012.
ISSN: ISSN 1097-2765
PubMed: 22795132
DOI: 10.1016/J.MOLCEL.2012.06.007
Page generated: Fri Sep 4 11:07:41 2020
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy