Structure of PDB 4fag Chain A Binding Site BS01

Receptor Information

>4fag Chain A (length=362) Species: 93369 (Pseudaminobacter salicylatoxidans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LDHESVTQAMQPKDTPELRALYKSFEEESIIPLWTQLGDLMPIHPKSKAV
PHVWKWSTLLRLARKSGELVPVGRGGERRALGLANPGLGGNAYISPTMYA
GIQYLGPRETAPEHRHSQNAFRFVVEGEGVWTVVNGDPVRMSRGDLLLTP
GWCFHGHMNDTDQPMAWIDGLDIPFSQQMDVGFFEFGSDRVTDYATPNFS
RGERLWCHPGLRPLSGLQNTVASPIGAYRWEFTDRALTEQLLLEDEGQPA
TVAPGHAAIRYVNPTTGGDVMPTLRCEFHRLRAGTETATRNEVGSTVFQV
FEGAGAVVMNGETTKLEKGDMFVVPSWVPWSLQAETQFDLFRFSDAPIME
ALSFMRTKIEGQ

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

4fag Chain A 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	4fag The generation of a 1-hydroxy-2-naphthoate 1,2-dioxygenase by single point mutations of salicylate 1,2-dioxygenase - Rational design of mutants and the crystal structures of the A85H and W104Y variants.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	H119 H121 H160
Binding residue (residue number reindexed from 1)	H114 H116 H155
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.13.11.4: gentisate 1,2-dioxygenase.

Gene Ontology

	Molecular Function
GO:0046872	metal ion binding
GO:0051213	dioxygenase activity

View graph for
Molecular Function

External links

PDB	RCSB:4fag, PDBe:4fag, PDBj:4fag
PDBsum	4fag
PubMed	22960182
UniProt	Q67FT0

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