Structure of PDB 1kqg Chain C Binding Site BS03

Receptor Information
>1kqg Chain C (length=216) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKSKMIVRTKFIDRACHWTVVICFFLVALSGISFFFPTLQWLTQTFGTPQ
MGRILHPFFGIAIFVALMFMFVRFVHHNIPDKKDIPWLLNIVEVLKGNEH
KVADVGKYNAGQKMMFWSIMSMIFVLLVTGVIIWRPYFAQYFPMQVVRYS
LLIHAAAGIILIHAILIHMYMAFWVKGSIKGMIEGKVSRRWAKKHHPRWY
REIEKAEAKKESEEGI
Ligand information
Ligand IDHQO
InChIInChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3
InChIKeyNZPACTGCRWDXCJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]
OpenEye OEToolkits 1.5.0CCCCCCCc1cc(c2ccccc2[n+]1[O-])O
ACDLabs 10.04[O-][n+]2c1ccccc1c(O)cc2CCCCCCC
FormulaC16 H21 N O2
Name2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE;
2-HEPTYL-1-OXY-QUINOLIN-4-OL
ChEMBLCHEMBL1233401
DrugBankDB07918
ZINCZINC000001529909
PDB chain1kqg Chain C Residue 811 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kqg Molecular basis of proton motive force generation: structure of formate dehydrogenase-N.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G112 Q113 H169 M172
Binding residue
(residue number reindexed from 1)		G111 Q112 H168 M171
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H169
Catalytic site (residue number reindexed from 1) H168
Enzyme Commision number 1.2.1.2: Transferred entry: 1.17.1.9.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008863 formate dehydrogenase (NAD+) activity
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0036397 formate dehydrogenase (quinone) activity
GO:0046872 metal ion binding
Biological Process
GO:0006788 heme oxidation
GO:0009061 anaerobic respiration
GO:0015944 formate oxidation
GO:0019645 anaerobic electron transport chain
GO:0022904 respiratory electron transport chain
GO:0045333 cellular respiration
Cellular Component
GO:0005886 plasma membrane
GO:0009326 formate dehydrogenase complex
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kqg, PDBe:1kqg, PDBj:1kqg
PDBsum1kqg
PubMed11884747
UniProtP0AEK7|FDNI_ECOLI Formate dehydrogenase, nitrate-inducible, cytochrome b556(Fdn) subunit (Gene Name=fdnI)

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