Structure of PDB 8uar Chain B Binding Site BS01

Receptor Information
>8uar Chain B (length=349) Species: 1830 (Rhodococcus ruber) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGSHMKAVQYTEIGSEPVVVDIPTPTPGPGEILLKVTAAGLCHSDIFVMD
MPAAQYAYGLPLTLGHEGVGTVAELGEGVTGFGVGDAVAVYGPWGCGACH
ACARGRENYCTRAADLGITPPGLGSPGSMAEYMIVDSARHLVPIGDLDPV
AAAPLTDAGLTPYHAISRVLPLLGPGSTAVVIGVGGLGHVGIQILRAVSA
ARVIAVDLDDDRLALAREVGADAAVKSGAGAADAIRELTGGQGATAVFDF
VGAQSTIDTAQQVVAVDGHISVVGIHAGAHAKVGFFMIPFGASVVTPYWG
TRSELMEVVALARAGRLDIHTETFTLDEGPAAYRRLREGSIRGRGVVVP
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 B Residue 501 [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)		C92 C95 C98 C106
Binding residue
(residue number reindexed from 1)		C96 C99 C102 C110
Annotation score4
External links