Structure of PDB 3lm4 Chain C Binding Site BS01

Receptor Information
>3lm4 Chain C (length=325) Species: 101510 (Rhodococcus jostii RHA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DARFDIAHLARAELFSPKPQETLDFFTKFLGMYVTHREGQSVYLRGYEDP
YPWSLKITEAPEAGMGHAAMRTSSPEALERRAKSLTDGNVDGTWSEDQFG
YGKTFEYQSPDGHNLQLLWEAEKYVAPPELRSKILTRPSKKPLQGIPVKR
IDHLNLMSSDVTAVKDSFERHLGFRTTERVVDGNVEIGAWMSSNLLGHEV
ACMRDMTGGHGKLHHLAFFYGTGQHNIDAVEMFRDYDIQIEAGPDKHGIT
QSQFLYVFEPGGNRIELFGEAGYLHLDPDAETKTWQMSDIDTGLAVGGAK
LPWESYFTYGTPSPLSLDQHIEKYA
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 chain3lm4 Chain C Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lm4 Crystal Structure of 2,3-Dihydroxy Biphenyl dioxygenase from Rhodococcus sp. (strain RHA1)
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H155 H217 E268
Binding residue
(residue number reindexed from 1)		H153 H215 E266
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H155 H200 H217 H249 Y258 E268
Catalytic site (residue number reindexed from 1) H153 H198 H215 H247 Y256 E266
Enzyme Commision number 1.13.11.2: catechol 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0018577 catechol 2,3-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:3lm4, PDBe:3lm4, PDBj:3lm4
PDBsum3lm4
PubMed
UniProtQ0S9X1

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