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Zinc in PDB 6fuk: Crystal Structure of Utx Complexed with 5-Carboxy-8-Hydroxyquinoline

Protein crystallography data

The structure of Crystal Structure of Utx Complexed with 5-Carboxy-8-Hydroxyquinoline, PDB code: 6fuk 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) 46.45 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.417, 83.261, 92.898, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.8

Other elements in 6fuk:

The structure of Crystal Structure of Utx Complexed with 5-Carboxy-8-Hydroxyquinoline also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Utx Complexed with 5-Carboxy-8-Hydroxyquinoline (pdb code 6fuk). 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 5-Carboxy-8-Hydroxyquinoline, PDB code: 6fuk:

Zinc binding site 1 out of 1 in 6fuk

Go back to Zinc Binding Sites List in 6fuk
Zinc binding site 1 out of 1 in the Crystal Structure of Utx Complexed with 5-Carboxy-8-Hydroxyquinoline


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 5-Carboxy-8-Hydroxyquinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1503

b:61.0
occ:1.00
SG A:CYS1331 2.2 62.7 1.0
SG A:CYS1334 2.3 63.9 1.0
SG A:CYS1358 2.4 56.1 1.0
SG A:CYS1361 2.5 68.4 1.0
CB A:CYS1331 3.1 59.8 1.0
CB A:CYS1361 3.2 62.0 1.0
CB A:CYS1334 3.4 61.3 1.0
CB A:CYS1358 3.5 56.4 1.0
N A:CYS1334 3.7 64.5 1.0
N A:CYS1358 3.9 49.8 1.0
CA A:CYS1334 4.1 60.8 1.0
N A:CYS1361 4.2 64.3 1.0
CG1 A:VAL1336 4.3 52.2 1.0
CA A:CYS1358 4.3 48.6 1.0
CA A:CYS1361 4.3 64.5 1.0
CB A:ILE1333 4.5 66.5 1.0
CA A:CYS1331 4.6 59.0 1.0
C A:ILE1333 4.8 64.2 1.0
C A:CYS1334 4.8 60.5 1.0
N A:GLU1335 4.8 55.6 1.0
C A:CYS1358 4.9 59.5 1.0
CG2 A:ILE1333 4.9 66.2 1.0
N A:ILE1333 4.9 62.1 1.0
O A:CYS1358 5.0 53.7 1.0
CA A:ILE1333 5.0 60.1 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: Wed Dec 16 11:49:28 2020

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