Structure of PDB 8uas Chain J Binding Site BS02

Receptor Information

>8uas Chain J (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 ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

8uas Chain J Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8uas Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Resolution	2.2 Å
Binding residue (original residue number in PDB)	C38 H62 E63 D153
Binding residue (residue number reindexed from 1)	C42 H66 E67 D157
Annotation score	4

External links

PDB	RCSB:8uas, PDBe:8uas, PDBj:8uas
PDBsum	8uas
PubMed

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