Structure of PDB 3nvc Chain A Binding Site BS01

Receptor Information
>3nvc Chain A (length=349) Species: 93369 (Pseudaminobacter salicylatoxidans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQPKDTPELRALYKSFEEESIIPLWTQLGDLMPIHPKSKAVPHVWKWSTL
LRLARKSGELVPVGRGGERRALGLANPGLGGNAYISPTMWAAIQYLGPRE
TAPEHRHSQNAFRFVVEGEGVWTVVNGDPVRMSRGDLLLTPGWCFHGHMN
DTDQPMAWIDGLDIPFSQQMDVGFFEFGSDYATPNFSRGERLWCHPGLRP
LSGLQNTVASPIGAYRWEFTDRALTEQLLLEDEGQPATVAPGHAAIRYVN
PTTGGDVMPTLRCEFHRLRAGTETATRNEVGSTVFQVFEGAGAVVMNGET
TKLEKGDMFVVPSWVPWSLQAETQFDLFRFSDAPIMEALSFMRTKIEGQ
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3nvc Chain A Residue 369 [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]
PDB3nvc The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		H119 H121 H160
Binding residue
(residue number reindexed from 1)		H105 H107 H146
Annotation score1
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:3nvc, PDBe:3nvc, PDBj:3nvc
PDBsum3nvc
PubMed23384287
UniProtQ67FT0

[Back to BioLiP]