Structure of PDB 3wpm Chain A Binding Site BS01

Receptor Information
>3wpm Chain A (length=408) Species: 627192 (Sphingobium sp. SYK-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKIIGGFAVSHTPTIAFAHDDPVWAPIFQGFEPVKQWLAEQKPDVTFYVY
NDHMTSFFEHYSHFALGVGEEYSPADEGGGQRDLPPIKGDPELAKHIAEC
LVADEFDLAYWQGMGLDHGAFSPLSVLLPHEHGWPCRIVPLQCGVLQHPI
PKARRFWNFGRSLRRAIQSYPRDIKVAIAGTGGLSHQVHGERAGFNNTEW
DMEFMERLANDPESLLGATVTDLAKKGGWEGAEVVMWLLMRGALSPEVKT
LHQSYFLPSMTAIATMLFEDQGDAAPPAESDEALRARAKRELAGVEEIEG
TYPFTIDRAVKGFRINHFLHRLIEPDFRKRFVEDPEGLFAESDLTEEEKS
LIRNRDWIGMIHYGVIFFMLEKMAAVLGIGNIDVYAAFRGLSVPEFQKTR
NAAITYSV
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3wpm Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wpm Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Resolution2.5 Å
Binding residue
(original residue number in PDB)
H12 N57 H59 E239
Binding residue
(residue number reindexed from 1)
H11 N51 H53 E233
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H12 H59 H192 E239
Catalytic site (residue number reindexed from 1) H11 H53 H186 E233
Enzyme Commision number 1.13.11.-
Gene Ontology
Molecular Function
GO:0008198 ferrous iron binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:3wpm, PDBe:3wpm, PDBj:3wpm
PDBsum3wpm
PubMed24657997
UniProtG2IKE5

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