Zinc in PDB 8dsf: Structure of CIAP1 with Bccov

Enzymatic activity of Structure of CIAP1 with Bccov

All present enzymatic activity of Structure of CIAP1 with Bccov:
2.3.2.27;

Protein crystallography data

The structure of Structure of CIAP1 with Bccov, PDB code: 8dsf was solved by J.S.Schiemer, M.F.Calabrese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.52 / 1.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 28.99, 30.77, 118.63, 96.7, 90.22, 111.08
R / Rfree (%) 18.9 / 22.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of CIAP1 with Bccov (pdb code 8dsf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of CIAP1 with Bccov, PDB code: 8dsf:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 8dsf

Go back to Zinc Binding Sites List in 8dsf
Zinc binding site 1 out of 4 in the Structure of CIAP1 with Bccov


Mono view


Stereo pair view

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

b:14.8
occ:1.00
NE2 A:HIS326 2.0 14.3 1.0
SG A:CYS333 2.3 16.0 1.0
SG A:CYS309 2.4 15.2 1.0
SG A:CYS306 2.4 15.0 1.0
CE1 A:HIS326 2.9 14.5 1.0
CB A:CYS333 3.1 15.9 1.0
CB A:CYS306 3.1 13.4 1.0
CD2 A:HIS326 3.1 14.6 1.0
CB A:CYS309 3.3 15.8 1.0
N A:CYS309 3.6 14.4 1.0
CA A:CYS309 4.0 14.5 1.0
ND1 A:HIS326 4.1 12.9 1.0
CG A:HIS326 4.2 14.0 1.0
CA A:CYS333 4.4 14.9 1.0
CB A:CYS308 4.5 16.2 1.0
CA A:CYS306 4.6 14.7 1.0
C A:CYS308 4.7 15.4 1.0
CB A:PHE330 4.8 14.1 1.0
C A:CYS309 4.9 14.3 1.0
N A:CYS308 4.9 14.9 1.0
CA A:CYS308 4.9 15.7 1.0

Zinc binding site 2 out of 4 in 8dsf

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Zinc binding site 2 out of 4 in the Structure of CIAP1 with Bccov


Mono view


Stereo pair view

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

b:16.5
occ:1.00
NE2 B:HIS326 2.0 17.9 1.0
SG B:CYS333 2.3 18.2 1.0
SG B:CYS306 2.3 15.7 1.0
SG B:CYS309 2.4 17.5 1.0
CE1 B:HIS326 2.8 16.7 1.0
CB B:CYS333 3.1 18.9 1.0
CB B:CYS306 3.1 14.1 1.0
CD2 B:HIS326 3.2 16.6 1.0
CB B:CYS309 3.2 17.4 1.0
N B:CYS309 3.6 15.9 1.0
CA B:CYS309 4.0 16.1 1.0
ND1 B:HIS326 4.0 16.1 1.0
CG B:HIS326 4.2 15.5 1.0
CA B:CYS333 4.5 19.9 1.0
CB B:CYS308 4.5 15.5 1.0
CA B:CYS306 4.6 13.0 1.0
C B:CYS308 4.7 16.0 1.0
CB B:PHE330 4.8 17.6 1.0
C B:CYS309 4.9 15.6 1.0
N B:CYS308 4.9 15.4 1.0
CA B:CYS308 4.9 15.4 1.0
CB B:LEU336 5.0 18.4 1.0

Zinc binding site 3 out of 4 in 8dsf

Go back to Zinc Binding Sites List in 8dsf
Zinc binding site 3 out of 4 in the Structure of CIAP1 with Bccov


Mono view


Stereo pair view

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

b:17.3
occ:1.00
NE2 C:HIS326 2.1 18.7 1.0
SG C:CYS306 2.3 16.3 1.0
SG C:CYS333 2.3 17.4 1.0
SG C:CYS309 2.4 22.0 1.0
CE1 C:HIS326 2.9 18.4 1.0
CB C:CYS333 3.1 19.0 1.0
CB C:CYS306 3.1 18.4 1.0
CB C:CYS309 3.3 23.2 1.0
CD2 C:HIS326 3.3 16.2 1.0
N C:CYS309 3.6 23.4 1.0
CA C:CYS309 4.0 23.9 1.0
ND1 C:HIS326 4.1 18.1 1.0
CG C:HIS326 4.3 15.9 1.0
CA C:CYS333 4.4 18.7 1.0
CB C:CYS308 4.5 22.8 1.0
CA C:CYS306 4.6 17.1 1.0
C C:CYS308 4.7 24.0 1.0
C C:CYS309 4.8 24.5 1.0
CB C:PHE330 4.9 24.2 1.0
CA C:CYS308 5.0 22.8 1.0
N C:ASP310 5.0 24.5 1.0
N C:CYS308 5.0 21.4 1.0

Zinc binding site 4 out of 4 in 8dsf

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Zinc binding site 4 out of 4 in the Structure of CIAP1 with Bccov


Mono view


Stereo pair view

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

b:17.8
occ:1.00
NE2 D:HIS326 2.0 21.2 1.0
SG D:CYS333 2.3 18.9 1.0
SG D:CYS306 2.3 16.5 1.0
SG D:CYS309 2.4 19.1 1.0
CE1 D:HIS326 2.8 19.8 1.0
CB D:CYS333 3.1 20.2 1.0
CB D:CYS306 3.1 14.6 1.0
CD2 D:HIS326 3.2 19.7 1.0
CB D:CYS309 3.3 20.2 1.0
N D:CYS309 3.7 20.8 1.0
ND1 D:HIS326 4.0 18.7 1.0
CA D:CYS309 4.1 21.4 1.0
CG D:HIS326 4.2 18.6 1.0
CA D:CYS333 4.4 20.5 1.0
CB D:CYS308 4.5 20.2 1.0
CA D:CYS306 4.6 14.2 1.0
C D:CYS308 4.8 21.7 1.0
CB D:PHE330 4.8 26.0 1.0
N D:CYS308 4.9 18.6 1.0
C D:CYS309 4.9 21.9 1.0
CA D:CYS308 5.0 19.5 1.0

Reference:

J.Schiemer, A.Maxwell, R.Horst, S.Liu, D.P.Uccello, K.Borzilleri, N.Rajamohan, M.F.Brown, M.F.Calabrese. A Covalent Btk Ternary Complex Compatible with Targeted Protein Degradation Nat Commun V. 14 1189 2023.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-023-36738-Z
Page generated: Sat Apr 8 08:22:17 2023

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