Structure of PDB 1zk1 Chain A Binding Site BS02

Receptor Information
>1zk1 Chain A (length=251) Species: 1580 (Levilactobacillus brevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNRLDGKVAIITGGTLGIGLAIATKFVEEGAKVMITDRHSDVGEKAAKSV
GTPDQIQFFQHDSSDEDGWTKLFDATEKAFGPVSTLVNNAGIAVNKSVEE
TTTAEWRKLLAVNLDGVFFGTRLGIQRMKNKGLGASIINMSSIEGFVGDP
SLGAYNASKGAVRIMSKSAALDCALKDYDVRVNTVHPGYIKTPLVDDLPG
AEEAMSQRTKTPMGHIGEPNDIAYICVYLASNESKFATGSEFVVDGGYTA
Q
Ligand information
Ligand IDAC0
InChIInChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyKWOLFJPFCHCOCG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 11.02O=C(c1ccccc1)C
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC(=O)c1ccccc1
FormulaC8 H8 O
Name1-PHENYLETHANONE;
ACETOPHENONE
ChEMBLCHEMBL274467
DrugBankDB04619
ZINCZINC000000896628
PDB chain1zk1 Chain A Residue 260 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1zk1 Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity
Resolution1.78 Å
Binding residue
(original residue number in PDB)		A93 N95 Y155 Y189
Binding residue
(residue number reindexed from 1)		A93 N95 Y155 Y189
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G17 S142 Y155 K159
Catalytic site (residue number reindexed from 1) G17 S142 Y155 K159
Enzyme Commision number 1.1.1.2: alcohol dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1zk1, PDBe:1zk1, PDBj:1zk1
PDBsum1zk1
PubMed15896805
UniProtQ84EX5

[Back to BioLiP]