Structure of PDB 8uas Chain E Binding Site BS01

Receptor Information

>8uas Chain E (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 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 E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	8uas Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Resolution	2.2 Å
Binding residue (original residue number in PDB)	C92 C95 C98 C106
Binding residue (residue number reindexed from 1)	C95 C98 C101 C109
Annotation score	4

External links

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

[Back to BioLiP]