Atomistry » Zinc » PDB 4e2f-4efs » 4eb9
Atomistry »
  Zinc »
    PDB 4e2f-4efs »
      4eb9 »

Zinc in PDB 4eb9: CIAP1-BIR3 in Complex with A Divalent Smac Mimetic

Protein crystallography data

The structure of CIAP1-BIR3 in Complex with A Divalent Smac Mimetic, PDB code: 4eb9 was solved by F.Cossu, E.Mastrangelo, M.Bolognesi, M.Milani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.20 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 79.110, 81.310, 96.880, 90.00, 95.67, 90.00
R / Rfree (%) 25.7 / 32.2

Zinc Binding Sites:

The binding sites of Zinc atom in the CIAP1-BIR3 in Complex with A Divalent Smac Mimetic (pdb code 4eb9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the CIAP1-BIR3 in Complex with A Divalent Smac Mimetic, PDB code: 4eb9:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 4eb9

Go back to Zinc Binding Sites List in 4eb9
Zinc binding site 1 out of 4 in the CIAP1-BIR3 in Complex with A Divalent Smac Mimetic


Mono view


Stereo pair view

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

b:28.0
occ:1.00
NE2 A:HIS320 2.0 14.0 1.0
SG A:CYS300 2.3 28.6 1.0
SG A:CYS303 2.3 31.7 1.0
SG A:CYS327 2.4 30.7 1.0
CE1 A:HIS320 2.7 17.1 1.0
CB A:CYS300 3.2 24.4 1.0
CB A:CYS327 3.3 27.4 1.0
CD2 A:HIS320 3.3 17.3 1.0
CB A:CYS303 3.4 30.7 1.0
N A:CYS303 3.6 30.0 1.0
ND1 A:HIS320 3.9 19.2 1.0
CA A:CYS303 4.1 31.1 1.0
CG A:HIS320 4.2 15.0 1.0
CB A:CYS302 4.3 29.9 1.0
CA A:CYS300 4.6 23.3 1.0
C A:CYS302 4.7 30.4 1.0
CA A:CYS327 4.7 28.5 1.0
CA A:CYS302 4.8 29.8 1.0
N A:CYS302 4.8 28.4 1.0

Zinc binding site 2 out of 4 in 4eb9

Go back to Zinc Binding Sites List in 4eb9
Zinc binding site 2 out of 4 in the CIAP1-BIR3 in Complex with A Divalent Smac Mimetic


Mono view


Stereo pair view

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

b:23.1
occ:1.00
SG B:CYS300 1.9 29.1 1.0
NE2 B:HIS320 2.0 15.1 1.0
SG B:CYS327 2.2 21.9 1.0
SG B:CYS303 2.4 23.6 1.0
CB B:CYS300 2.6 21.5 1.0
CE1 B:HIS320 2.8 17.7 1.0
CB B:CYS327 3.1 22.3 1.0
CB B:CYS303 3.2 26.9 1.0
CD2 B:HIS320 3.2 17.4 1.0
N B:CYS303 3.7 27.1 1.0
CA B:CYS303 4.0 27.5 1.0
ND1 B:HIS320 4.0 19.0 1.0
CA B:CYS300 4.1 21.6 1.0
CG B:HIS320 4.2 14.7 1.0
CA B:CYS327 4.5 24.1 1.0
CB B:CYS302 4.6 29.6 1.0
C B:CYS300 4.7 22.6 1.0
C B:CYS302 4.7 28.5 1.0
C B:CYS303 4.9 27.2 1.0
CB B:PHE324 4.9 18.4 1.0
O B:CYS300 4.9 23.1 1.0
N B:CYS302 5.0 27.6 1.0
CA B:CYS302 5.0 29.1 1.0

Zinc binding site 3 out of 4 in 4eb9

Go back to Zinc Binding Sites List in 4eb9
Zinc binding site 3 out of 4 in the CIAP1-BIR3 in Complex with A Divalent Smac Mimetic


Mono view


Stereo pair view

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

b:30.9
occ:1.00
NE2 C:HIS320 2.1 21.1 1.0
SG C:CYS327 2.2 25.0 1.0
SG C:CYS300 2.2 36.9 1.0
SG C:CYS303 2.3 31.4 1.0
CE1 C:HIS320 2.8 25.0 1.0
CB C:CYS300 3.1 32.0 1.0
CB C:CYS327 3.2 26.6 1.0
CD2 C:HIS320 3.3 27.1 1.0
CB C:CYS303 3.4 35.0 1.0
N C:CYS303 3.5 36.8 1.0
ND1 C:HIS320 4.0 24.6 1.0
CA C:CYS303 4.1 36.8 1.0
CB C:CYS302 4.3 39.2 1.0
CG C:HIS320 4.3 22.9 1.0
CA C:CYS300 4.5 32.5 1.0
CA C:CYS327 4.6 28.4 1.0
C C:CYS302 4.6 40.0 1.0
N C:CYS302 4.7 38.8 1.0
CA C:CYS302 4.8 40.0 1.0
N C:ASP304 4.9 37.2 1.0
C C:CYS303 4.9 37.9 1.0
C C:CYS300 4.9 34.9 1.0

Zinc binding site 4 out of 4 in 4eb9

Go back to Zinc Binding Sites List in 4eb9
Zinc binding site 4 out of 4 in the CIAP1-BIR3 in Complex with A Divalent Smac Mimetic


Mono view


Stereo pair view

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

b:30.2
occ:1.00
NE2 D:HIS320 2.0 24.0 1.0
SG D:CYS303 2.2 40.8 1.0
SG D:CYS327 2.3 29.5 1.0
SG D:CYS300 2.4 39.0 1.0
CE1 D:HIS320 2.7 25.0 1.0
CB D:CYS300 3.0 33.1 1.0
CB D:CYS327 3.2 29.5 1.0
CD2 D:HIS320 3.3 20.5 1.0
CB D:CYS303 3.3 41.7 1.0
N D:CYS303 3.7 43.4 1.0
ND1 D:HIS320 3.9 19.4 1.0
CA D:CYS303 4.1 43.6 1.0
CG D:HIS320 4.2 19.6 1.0
CA D:CYS300 4.5 34.1 1.0
CB D:CYS302 4.5 44.5 1.0
CA D:CYS327 4.7 30.7 1.0
C D:CYS302 4.7 44.9 1.0
N D:CYS302 4.9 42.3 1.0
CB D:PHE324 4.9 28.0 1.0
C D:CYS303 4.9 43.9 1.0
CA D:CYS302 5.0 44.5 1.0
C D:CYS300 5.0 35.6 1.0

Reference:

F.Cossu, M.Milani, P.Vachette, F.Malvezzi, S.Grassi, D.Lecis, D.Delia, C.Drago, P.Seneci, M.Bolognesi, E.Mastrangelo. Structural Insight Into Inhibitor of Apoptosis Proteins Recognition By A Potent Divalent Smac-Mimetic. Plos One V. 7 49527 2012.
ISSN: ESSN 1932-6203
PubMed: 23166698
DOI: 10.1371/JOURNAL.PONE.0049527
Page generated: Sat Oct 26 21:56:12 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy