Structure of PDB 3nmk Chain D Binding Site BS02

Receptor Information
>3nmk Chain D (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 chain3nmk Chain D Residue 151 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3nmk Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D54 C59
Binding residue
(residue number reindexed from 1)		D54 C59
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:3nmk, PDBe:3nmk, PDBj:3nmk
PDBsum3nmk
PubMed20740227
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC)

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