Structure of PDB 3bkn Chain K Binding Site BS02

Receptor Information
>3bkn Chain K (length=161) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQGDPDVLKLLNEQLTSELTAINQYFLHSKMQDNWGFTELAEHTRAESFE
EMRHAETITDRILLLDGLPNYQRLFSLRVGQTLREQFEADLAIEYEVLER
LKPGIVLCREKQDATSARLLEQILADEETHIDYLETQLQLMDKLGDALYA
AQCVSRPPGSA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3bkn Chain K Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bkn Bacterioferritin from Mycobacterium smegmatis contains zinc in its di-nuclear site.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		E51 E94 E127 H130
Binding residue
(residue number reindexed from 1)		E51 E94 E127 H130
Annotation score1
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: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
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bkn, PDBe:3bkn, PDBj:3bkn
PDBsum3bkn
PubMed18445621
UniProtA0QY79

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