Structure of PDB 3nmi Chain B Binding Site BS02

Receptor Information
>3nmi Chain B (length=106) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADLEDNMETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLED
KSPDSPEMCDFAAGFAILVGQIDDALKLANEGKVKEAQAAAEQLKTTCNA
CHQKYR
Ligand information
Ligand IDPXX
InChIInChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)
InChIKeyAAJXINSCZMZERD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)Nc1cc2cccnc2c3c1cccn3
CACTVS 3.341CC(=O)Nc1cc2cccnc2c3ncccc13
ACDLabs 10.04O=C(Nc2cc1cccnc1c3ncccc23)C
FormulaC14 H11 N3 O
NameN-1,10-phenanthrolin-5-ylacetamide
ChEMBL
DrugBankDB08440
ZINCZINC000053683165
PDB chain3nmi Chain B Residue 151 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3nmi Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		A43 P53 D54 M58 C59 A62
Binding residue
(residue number reindexed from 1)		A43 P53 D54 M58 C59 A62
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0022900 electron transport chain
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3nmi, PDBe:3nmi, PDBj:3nmi
PDBsum3nmi
PubMed20740227
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC)

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