Structure of PDB 3nkt Chain A Binding Site BS01

Receptor Information
>3nkt Chain A (length=364) Species: 93369 (Pseudaminobacter salicylatoxidans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKLDHESVTQAMQPKDTPELRALYKSFEEESIIPLWTQLGDLMPIHPKSK
AVPHVWKWSTLLRLARKSGELVPVGRGGERRALGLANPGLGGNAYISPTM
WAGIQYLGPRETAPEHRHSQNAFRFVVEGEGVWTVVNGDPVRMSRGDLLL
TPGWCFHGHMNDTDQPMAWIDGLDIPFSQQMDVGFFEFGSDRVTDYATPN
FSRGERLWCHPGLRPLSGLQNTVASPIGAYRWEFTDRALTEQLLLEDEGQ
PATVAPGHAAIRYVNPTTGGDVMPTLRCEFHRLRAGTETATRNEVGSTVF
QVFEGAGAVVMNGETTKLEKGDMFVVPSWVPWSLQAETQFDLFRFSDAPI
MEALSFMRTKIEGQ
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 chain3nkt 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

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PDB3nkt Crystal structures of salicylate 1,2-dioxygenase-substrates adducts: A step towards the comprehension of the structural basis for substrate selection in class III ring cleaving dioxygenases.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		H119 H121 H160
Binding residue
(residue number reindexed from 1)		H116 H118 H157
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:3nkt, PDBe:3nkt, PDBj:3nkt
PDBsum3nkt
PubMed22155290
UniProtQ67FT0

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