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Zinc in PDB 6g8f: Crystal Structure of Utx Complexed with Gsk-J1

Protein crystallography data

The structure of Crystal Structure of Utx Complexed with Gsk-J1, PDB code: 6g8f was solved by C.Esposito, P.Sledz, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.92 / 2.04
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.781, 82.338, 92.397, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 23.6

Other elements in 6g8f:

The structure of Crystal Structure of Utx Complexed with Gsk-J1 also contains other interesting chemical elements:

Manganese (Mn) 1 atom
Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Utx Complexed with Gsk-J1 (pdb code 6g8f). 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 Crystal Structure of Utx Complexed with Gsk-J1, PDB code: 6g8f:

Zinc binding site 1 out of 1 in 6g8f

Go back to Zinc Binding Sites List in 6g8f
Zinc binding site 1 out of 1 in the Crystal Structure of Utx Complexed with Gsk-J1


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 Utx Complexed with Gsk-J1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1502

b:66.0
occ:1.00
SG A:CYS1358 2.3 58.5 1.0
SG A:CYS1334 2.3 71.6 1.0
SG A:CYS1331 2.4 70.3 1.0
SG A:CYS1361 2.5 77.8 1.0
CB A:CYS1361 3.1 67.3 1.0
CB A:CYS1334 3.1 61.9 1.0
CB A:CYS1331 3.3 57.2 1.0
N A:CYS1334 3.4 67.4 1.0
CB A:CYS1358 3.6 62.0 1.0
CA A:CYS1334 3.8 69.6 1.0
N A:CYS1358 4.1 60.8 1.0
N A:CYS1361 4.2 75.5 1.0
CB A:ILE1333 4.2 72.5 1.0
CA A:CYS1361 4.3 77.4 1.0
CA A:CYS1358 4.4 54.0 1.0
C A:ILE1333 4.5 68.1 1.0
N A:GLU1335 4.6 66.8 1.0
C A:CYS1334 4.6 61.9 1.0
CG1 A:VAL1336 4.6 50.2 1.0
CA A:CYS1331 4.7 65.6 1.0
CA A:ILE1333 4.7 68.8 1.0
N A:ILE1333 4.7 67.1 1.0
CG2 A:ILE1333 4.7 69.8 1.0
O A:CYS1358 5.0 66.1 1.0

Reference:

C.Esposito, L.Wiedmer, A.Caflisch. In Silico Identification of JMJD3 Demethylase Inhibitors. J Chem Inf Model V. 58 2151 2018.
ISSN: ESSN 1549-960X
PubMed: 30226987
DOI: 10.1021/ACS.JCIM.8B00539
Page generated: Mon Oct 28 21:41:57 2024

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