BioLiP

Structure of PDB 1iuo Chain A Binding Site BS01

Receptor Information

>1iuo Chain A (length=272) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NLEIGKSILAAGVLTNYHDVGEGQPVILIHGSGPGVSAYANWRLTIPALS
KFYRVIAPDMVGFGFTDRPENYNYSKDSWVDHIIGIMDALEIEKAHIVGN
AFGGGLAIATALRYSERVDRMVLMGAAGTRFDVTEGLNAVWGYTPSIENM
RNLLDIFAYDRSLVTDELARLRYEASIQPGFQESFSSMFPEPRQRWIDAL
ASSDEDIKTLPNETLIIHGREDQVVPLSSSLRLGELIDRAQLHVFGRCGH
WTQIEQTDRFNRLVVEFFNEAN

Ligand information

Ligand ID

ACT

InChI

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

InChIKey

QTBSBXVTEAMEQO-UHFFFAOYSA-M

SMILES

Software	SMILES
ACDLabs 10.04	[O-]C(=O)C
OpenEye OEToolkits 1.5.0	CC(=O)[O-]
CACTVS 3.341	CC([O-])=O

Formula

C2 H3 O2

Name

ACETATE ION

PDB chain

1iuo Chain A Residue 300 [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	1iuo Crystal structures of a meta-cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) complexed with cleavage products
Resolution	2.0 Å
Binding residue (original residue number in PDB)	S34 A103 F104 H252
Binding residue (residue number reindexed from 1)	S32 A101 F102 H250
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	S34 G35 G37 N102 A103 F104 G127 V142 R174 F187 D224 H252 W253
Catalytic site (residue number reindexed from 1)	S32 G33 G35 N100 A101 F102 G125 V140 R172 F185 D222 H250 W251
Enzyme Commision number	3.7.1.9: 2-hydroxymuconate-6-semialdehyde hydrolase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0016787	hydrolase activity

View graph for
Molecular Function

PDB	RCSB:1iuo, PDBe:1iuo, PDBj:1iuo
PDBsum	1iuo
PubMed	12192074
UniProt	P96965