Structure of PDB 3qb9 Chain D Binding Site BS02

Receptor Information
>3qb9 Chain D (length=159) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQGDPDVLRLLNEQLTSELTAINQYFLHSKMQDNWGFTELAAHTRAESFD
EMRHAEEITDRILLLDGLPNYQRIGSLRIGQTLREQFEADLAIEYDVLNR
LKPGIVMCREKQDTTSAVLLEKIVADEEEHIDYLETQLELMDKLGEELYS
AQCVSRPPT
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 chain3qb9 Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qb9 Mycobacterium tuberculosis bacterioferritin, BfrA
Resolution2.11 Å
Binding residue
(original residue number in PDB)
E18 E51 H54 E127
Binding residue
(residue number reindexed from 1)
E18 E51 H54 E127
Annotation score5
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
GO:0005506 iron ion binding
GO:0008199 ferric iron binding
GO:0015093 ferrous iron transmembrane transporter activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis
GO:0006880 intracellular sequestering of iron ion
GO:0010039 response to iron ion
GO:0034755 iron ion transmembrane transport
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:3qb9, PDBe:3qb9, PDBj:3qb9
PDBsum3qb9
PubMed
UniProtP9WPQ9|BFR_MYCTU Bacterioferritin BfrA (Gene Name=bfr)

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