Structure of PDB 8uar Chain F Binding Site BS02

Receptor Information
>8uar Chain F (length=348) Species: 1830 (Rhodococcus ruber) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMKAVQYTEIGSEPVVVDIPTPTPGPGEILLKVTAAGLCHSDIFVMDM
PAAQYAYGLPLTLGHEGVGTVAELGEGVTGFGVGDAVAVYGPWGCGACHA
CARGRENYCTRAADLGITPPGLGSPGSMAEYMIVDSARHLVPIGDLDPVA
AAPLTDAGLTPYHAISRVLPLLGPGSTAVVIGVGGLGHVGIQILRAVSAA
RVIAVDLDDDRLALAREVGADAAVKSGAGAADAIRELTGGQGATAVFDFV
GAQSTIDTAQQVVAVDGHISVVGIHAGAHAKVGFFMIPFGASVVTPYWGT
RSELMEVVALARAGRLDIHTETFTLDEGPAAYRRLREGSIRGRGVVVP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8uar Chain F Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8uar Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Resolution2.99 Å
Binding residue
(original residue number in PDB)		C38 H62 E63 D153
Binding residue
(residue number reindexed from 1)		C41 H65 E66 D156
Annotation score4
External links