Structure of PDB 3swt Chain A Binding Site BS01

Receptor Information
>3swt Chain A (length=244) Species: 216594 (Mycobacterium marinum M) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LITVKKLGSRIGAQVDGVSLGADLDAAAVDQIRAALLEHKVIFFRNQHHL
DDQQQLQFAGLLGTPIANRWHTDVTFAANYPAASILRAVTLPNYGGSTLW
ANTATAYAELPEPLKCLVENLWALHTNRPDFRTEHPVVRVHPETGERTLL
AGDFVRGFVGLDSQESSALFELLQRRITSPENTIRWNWESGDVAIWDNRA
TQHRAIDDYDDQHRLLHRVTLMGDVPVDVHGQRSRVISGAPLAL
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 chain3swt Chain A Residue 299 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3swt Increasing the structural coverage of tuberculosis drug targets.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H98 D100 H255
Binding residue
(residue number reindexed from 1)		H71 D73 H203
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H98 D100 H255 R270
Catalytic site (residue number reindexed from 1) H71 D73 H203 R218
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:3swt, PDBe:3swt, PDBj:3swt
PDBsum3swt
PubMed25613812
UniProtB2HD26

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