Structure of PDB 3vsi Chain D Binding Site BS01

Receptor Information

>3vsi Chain D (length=299) Species: 543891 (Comamonas testosteroni CNB-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MQGEIIAGFLAPHPPHLVYGENPPQNEPRSQGGWEVLRWAYERARERLDA
MKPDVLLVHSPHWITSVGHHFLGVPELSGKSVDPIFPNVFRYDFSLNVDV
ELAEACAEEGRKAGLVTKMMRNPKFRVDYGTITTLHLIRPQWDIPVVGIS
ANNSPYYLNTKEGMSEMDVLGKATREAIRKTGRKAVLLASNTLSHWHFHE
EPTIPEDMSKEYPATMAGYQWDIRMIELMRQGKTSEVFKLLPQFIDEAFA
EVKSGAFTWMHAAMQYPELAAELFGYGTVIGTGNAVMEWDLRKAGLSML

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

3vsi Chain D Residue 401 [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	3vsi Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Resolution	2.5 Å
Binding residue (original residue number in PDB)	H13 H62 E251
Binding residue (residue number reindexed from 1)	H13 H62 E251
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.13.11.74: 2-aminophenol 1,6-dioxygenase.
1.13.11.76: 2-amino-5-chlorophenol 1,6-dioxygenase.

Gene Ontology

	Molecular Function
GO:0008198	ferrous iron binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding
GO:0051213	dioxygenase activity

	Biological Process
GO:0009056	catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:3vsi, PDBe:3vsi, PDBj:3vsi
PDBsum	3vsi
PubMed	23275161
UniProt	Q6J1Z6\|AMNB_COMTE 2-aminophenol 1,6-dioxygenase subunit beta (Gene Name=cnbCb)

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