Atomistry » Zinc » PDB 6eom-6ezf » 6ey2
Atomistry »
  Zinc »
    PDB 6eom-6ezf »
      6ey2 »

Zinc in PDB 6ey2: Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm

Enzymatic activity of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm

All present enzymatic activity of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm:
2.3.2.27;

Protein crystallography data

The structure of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm, PDB code: 6ey2 was solved by F.Cossu, A.Corti, M.Milani, E.Mastrangelo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.50 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.230, 97.060, 182.600, 90.00, 90.00, 90.00
R / Rfree (%) 23.5 / 28.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm (pdb code 6ey2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm, PDB code: 6ey2:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 6ey2

Go back to Zinc Binding Sites List in 6ey2
Zinc binding site 1 out of 8 in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:36.8
occ:1.00
 NE2 A:HIS320 2.0 40.1 1.0
SG A:CYS303 2.2 35.5 1.0
SG A:CYS300 2.3 50.4 1.0
SG A:CYS327 2.3 33.6 1.0
CE1 A:HIS320 2.6 41.9 1.0
CB A:CYS327 2.8 36.4 1.0
CB A:CYS303 3.1 39.2 1.0
CB A:CYS300 3.2 45.5 1.0
CD2 A:HIS320 3.3 42.0 1.0
N A:CYS303 3.6 37.5 1.0
ND1 A:HIS320 3.8 43.8 1.0
CA A:CYS303 3.9 38.7 1.0
CA A:CYS327 4.2 36.9 1.0
CG A:HIS320 4.2 42.3 1.0
CA A:CYS300 4.6 45.4 1.0
C A:HIS302 4.7 35.1 1.0
CB A:HIS302 4.7 41.0 1.0
C A:CYS303 4.8 40.2 1.0
N A:HIS302 4.9 34.0 1.0
O A:TYR324 4.9 35.4 1.0
N A:GLY304 5.0 41.4 1.0
CA A:HIS302 5.0 37.3 1.0

Zinc binding site 2 out of 8 in 6ey2

Go back to Zinc Binding Sites List in 6ey2
Zinc binding site 2 out of 8 in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:52.0
occ:1.00
 NE2 B:HIS320 2.0 54.2 1.0
SG B:CYS303 2.1 50.8 1.0
SG B:CYS300 2.3 54.5 1.0
SG B:CYS327 2.4 43.8 1.0
CE1 B:HIS320 2.6 56.5 1.0
CB B:CYS327 2.8 45.7 1.0
CB B:CYS303 3.0 47.7 1.0
CB B:CYS300 3.1 49.7 1.0
CD2 B:HIS320 3.3 48.7 1.0
N B:CYS303 3.6 54.5 1.0
CA B:CYS303 3.9 52.4 1.0
ND1 B:HIS320 3.9 54.8 1.0
CA B:CYS327 4.2 51.4 1.0
CG B:HIS320 4.2 45.5 1.0
CA B:CYS300 4.6 53.2 1.0
C B:HIS302 4.7 59.2 1.0
CB B:HIS302 4.7 61.2 1.0
C B:CYS303 4.8 53.8 1.0
N B:GLY304 4.9 53.7 1.0
N B:HIS302 5.0 68.1 1.0
O B:TYR324 5.0 37.2 1.0

Zinc binding site 3 out of 8 in 6ey2

Go back to Zinc Binding Sites List in 6ey2
Zinc binding site 3 out of 8 in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:48.0
occ:1.00
 SG C:CYS303 2.2 46.9 1.0
SG C:CYS327 2.2 42.6 1.0
NE2 C:HIS320 2.2 52.8 1.0
SG C:CYS300 2.3 53.6 1.0
CB C:CYS327 2.7 39.9 1.0
CE1 C:HIS320 2.8 57.4 1.0
CB C:CYS303 2.9 54.7 1.0
CB C:CYS300 3.3 53.6 1.0
N C:CYS303 3.4 54.6 1.0
CD2 C:HIS320 3.5 51.0 1.0
CA C:CYS303 3.7 52.9 1.0
CA C:CYS327 4.0 37.4 1.0
ND1 C:HIS320 4.1 50.7 1.0
CG C:HIS320 4.4 50.8 1.0
C C:HIS302 4.5 53.3 1.0
CB C:HIS302 4.5 51.5 1.0
CA C:CYS300 4.7 56.0 1.0
C C:CYS303 4.7 49.6 1.0
N C:HIS302 4.9 51.2 1.0
CA C:HIS302 4.9 54.3 1.0
N C:GLY304 4.9 54.8 1.0
N C:CYS327 4.9 39.8 1.0
C C:CYS327 5.0 39.2 1.0

Zinc binding site 4 out of 8 in 6ey2

Go back to Zinc Binding Sites List in 6ey2
Zinc binding site 4 out of 8 in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn401

b:43.0
occ:1.00
 NE2 D:HIS320 2.0 34.4 1.0
SG D:CYS300 2.1 45.1 1.0
SG D:CYS303 2.3 49.2 1.0
SG D:CYS327 2.4 45.8 1.0
CE1 D:HIS320 2.5 38.2 1.0
CB D:CYS327 3.0 47.0 1.0
CB D:CYS300 3.0 52.6 1.0
CB D:CYS303 3.2 55.3 1.0
CD2 D:HIS320 3.3 36.0 1.0
N D:CYS303 3.6 56.1 1.0
ND1 D:HIS320 3.8 39.3 1.0
CA D:CYS303 4.0 56.1 1.0
CG D:HIS320 4.2 37.3 1.0
CA D:CYS327 4.3 48.6 1.0
CA D:CYS300 4.5 54.4 1.0
CB D:HIS302 4.7 60.5 1.0
C D:HIS302 4.7 56.4 1.0
C D:CYS303 4.9 49.6 1.0
N D:HIS302 4.9 58.4 1.0
N D:GLY304 5.0 48.9 1.0
CA D:HIS302 5.0 59.7 1.0

Zinc binding site 5 out of 8 in 6ey2

Go back to Zinc Binding Sites List in 6ey2
Zinc binding site 5 out of 8 in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn401

b:42.2
occ:1.00
 NE2 E:HIS320 2.1 44.2 1.0
SG E:CYS327 2.2 46.9 1.0
SG E:CYS303 2.2 48.5 1.0
SG E:CYS300 2.3 49.2 1.0
CE1 E:HIS320 2.7 44.8 1.0
CB E:CYS327 2.8 41.3 1.0
CB E:CYS303 3.1 51.2 1.0
CB E:CYS300 3.2 61.5 1.0
CD2 E:HIS320 3.4 41.8 1.0
N E:CYS303 3.6 57.1 1.0
CA E:CYS303 3.9 53.8 1.0
ND1 E:HIS320 3.9 45.4 1.0
CA E:CYS327 4.1 44.1 1.0
CG E:HIS320 4.3 42.5 1.0
CB E:HIS302 4.6 49.6 1.0
CA E:CYS300 4.7 62.3 1.0
C E:HIS302 4.7 60.1 1.0
C E:CYS303 4.9 48.4 1.0
N E:HIS302 4.9 56.9 1.0
N E:CYS327 5.0 48.4 1.0
CA E:HIS302 5.0 55.5 1.0

Zinc binding site 6 out of 8 in 6ey2

Go back to Zinc Binding Sites List in 6ey2
Zinc binding site 6 out of 8 in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn401

b:49.1
occ:1.00
 NE2 F:HIS320 2.1 47.2 1.0
SG F:CYS303 2.2 53.9 1.0
SG F:CYS327 2.2 40.7 1.0
SG F:CYS300 2.3 54.7 1.0
CE1 F:HIS320 2.7 42.3 1.0
CB F:CYS327 2.8 43.6 1.0
CB F:CYS303 3.0 56.1 1.0
CB F:CYS300 3.2 51.1 1.0
CD2 F:HIS320 3.4 43.3 1.0
N F:CYS303 3.5 53.0 1.0
CA F:CYS303 3.8 55.7 1.0
ND1 F:HIS320 4.0 38.2 1.0
CA F:CYS327 4.1 37.3 1.0
CG F:HIS320 4.3 38.7 1.0
CB F:HIS302 4.6 53.8 1.0
C F:HIS302 4.6 53.6 1.0
CA F:CYS300 4.7 54.3 1.0
C F:CYS303 4.8 56.2 1.0
N F:HIS302 4.9 63.0 1.0
O F:TYR324 5.0 37.7 1.0
CA F:HIS302 5.0 56.4 1.0
N F:CYS327 5.0 40.6 1.0
N F:GLY304 5.0 48.6 1.0

Zinc binding site 7 out of 8 in 6ey2

Go back to Zinc Binding Sites List in 6ey2
Zinc binding site 7 out of 8 in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Zn401

b:50.3
occ:1.00
 SG G:CYS303 2.1 55.7 1.0
NE2 G:HIS320 2.1 59.3 1.0
SG G:CYS327 2.3 53.6 1.0
SG G:CYS300 2.4 63.5 1.0
CB G:CYS327 2.7 50.7 1.0
CE1 G:HIS320 2.8 50.7 1.0
CB G:CYS303 2.9 51.4 1.0
CB G:CYS300 3.2 55.9 1.0
CD2 G:HIS320 3.4 47.1 1.0
N G:CYS303 3.5 61.3 1.0
CA G:CYS303 3.8 51.2 1.0
ND1 G:HIS320 4.0 45.7 1.0
CA G:CYS327 4.1 46.4 1.0
CG G:HIS320 4.3 48.2 1.0
CA G:CYS300 4.7 62.4 1.0
C G:HIS302 4.7 62.8 1.0
C G:CYS303 4.7 48.0 1.0
CB G:HIS302 4.8 52.5 1.0
O G:TYR324 4.9 39.2 1.0
N G:CYS327 4.9 41.5 1.0
N G:GLY304 4.9 45.5 1.0
CB G:TYR324 5.0 56.8 1.0

Zinc binding site 8 out of 8 in 6ey2

Go back to Zinc Binding Sites List in 6ey2
Zinc binding site 8 out of 8 in the Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Xiap-BIR3 in Complex with A CIAP1-Selective Sm within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn401

b:46.3
occ:1.00
 NE2 H:HIS320 2.1 54.2 1.0
SG H:CYS327 2.2 50.4 1.0
SG H:CYS303 2.3 58.7 1.0
SG H:CYS300 2.3 54.7 1.0
CE1 H:HIS320 2.7 55.9 1.0
CB H:CYS327 2.7 50.2 1.0
CB H:CYS303 3.0 53.1 1.0
CB H:CYS300 3.2 55.2 1.0
CD2 H:HIS320 3.4 52.9 1.0
N H:CYS303 3.5 58.0 1.0
CA H:CYS303 3.9 55.7 1.0
ND1 H:HIS320 3.9 46.8 1.0
CA H:CYS327 4.1 48.1 1.0
CG H:HIS320 4.3 48.3 1.0
CB H:HIS302 4.6 49.8 1.0
C H:HIS302 4.6 56.5 1.0
CA H:CYS300 4.7 57.2 1.0
C H:CYS303 4.8 56.5 1.0
N H:HIS302 4.9 54.1 1.0
CA H:HIS302 4.9 54.3 1.0
N H:CYS327 5.0 46.3 1.0
N H:GLY304 5.0 55.1 1.0

Reference:

A.Corti, M.Milani, D.Lecis, P.Seneci, M.De Rosa, E.Mastrangelo, F.Cossu. Structure-Based Design and Molecular Profiling of Smac-Mimetics Selective For Cellular Iaps. Febs J. V. 285 3286 2018.
ISSN: ISSN 1742-4658
PubMed: 30055105
DOI: 10.1111/FEBS.14616
Page generated: Mon Oct 28 20:29:03 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy