Zinc in PDB 6w74: Structure of Ciap with Compound 15

Enzymatic activity of Structure of Ciap with Compound 15

All present enzymatic activity of Structure of Ciap with Compound 15:
2.3.2.27;

Protein crystallography data

The structure of Structure of Ciap with Compound 15, PDB code: 6w74 was solved by M.F.Calabrese, J.S.Schiemer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.40 / 2.11
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 49.037, 33.651, 57.610, 90.00, 105.70, 90.00
R / Rfree (%) 18.7 / 25.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Ciap with Compound 15 (pdb code 6w74). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of Ciap with Compound 15, PDB code: 6w74:

Zinc binding site 1 out of 1 in 6w74

Go back to Zinc Binding Sites List in 6w74
Zinc binding site 1 out of 1 in the Structure of Ciap with Compound 15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Ciap with Compound 15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:30.2
occ:1.00
NE2 A:HIS326 2.0 33.8 1.0
SG A:CYS333 2.3 30.1 1.0
SG A:CYS309 2.4 30.4 1.0
SG A:CYS306 2.4 35.1 1.0
CE1 A:HIS326 2.8 33.4 1.0
CB A:CYS333 3.1 26.2 1.0
CB A:CYS306 3.1 31.5 1.0
CD2 A:HIS326 3.2 33.6 1.0
CB A:CYS309 3.3 27.0 1.0
N A:CYS309 3.7 28.6 1.0
ND1 A:HIS326 4.0 33.5 1.0
CA A:CYS309 4.1 27.6 1.0
CG A:HIS326 4.2 31.3 1.0
CA A:CYS333 4.4 25.8 1.0
CB A:CYS308 4.6 36.6 1.0
CA A:CYS306 4.6 31.4 1.0
CB A:PHE330 4.8 27.3 1.0
C A:CYS308 4.8 34.0 1.0
C A:CYS309 4.9 31.8 1.0

Reference:

M.F.Calabrese, J.S.Schiemer, R.Horst, Y.Meng, J.Montgomery, Y.Xu, X.Feng, K.Borzilleri, D.P.Uccello, C.Leverett, S.Brown, Y.Che, M.F.Brown, M.M.Hayward, A.M.Gilbert, M.C.Noe. Structural Characterization of Btk:Protac:Ciap Ternary Complexes: From Snapshots to Ensembles Nat.Chem.Biol. 2020.
ISSN: ESSN 1552-4469
Page generated: Wed Dec 16 13:03:32 2020

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