Structure of PDB 7q5y Chain S Binding Site BS02

Receptor Information
>7q5y Chain S (length=626) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVKIYIDDVEIEAEKGKTVLQVALENGIDIPYFCYHPRLSIAGACRMCVV
YWEDINRLVISCNLPVQEGMRVRTHRTSEMVREQQKYLLQALMTRHPLDC
PICDKAGECDLQNLGAIYGPQKQIVPISALEKEREEHDWESDFLEYYSNR
CVVCYRCTRACDEVVGTRALYVEDRGFHSNIVPAVRPMDTSTCEMCGICV
HVCPVGAIISKPFKYWSRSWLLEKGRTVCNLCPVGCEIQIEYGVGDWRSK
RKVYRTKPTDELNICAKGFFGYDSINHKRLLKTKVGKREETPGNVVNLLT
TILTEHGGKTGIVFSAYLPKEVIDEVLRIAKASQAYVTAPQSVDLFKFLD
ELEEYDFPTVKEFEKADAFVFIGDDITSVATVLSYYTKKKVYKIGKSVRD
EKLQPEEITYEDLQNLEGNVFVLVTPHALNGEIKEVATKLKELKREKGFK
VIPVPKDANALYLYEVLKGIYSDLPAVMEACERGDIENLIIFGEDILEFY
EDKVFEELKEKLEHLVVVSPYEDGLSEYAHIKIPMSLMGENEGTYKTFFG
EVKGKKFLPWAFDDLAFWKYLGENFKEEKGLKVVKSSSNLRRRFEPHLYR
NNWITQRSQNLSRLYEKNKDITVYYE
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7q5y Chain S Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7q5y Structure of NADH:ubichinon oxidoreductase (complex I) of the hyperthermophilic eubacterium Aquifex aeolicus
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C154 V155 C157 Y158 C160 I184 C206 P207 A210 I211
Binding residue
(residue number reindexed from 1)		C151 V152 C154 Y155 C157 I181 C203 P204 A207 I208
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061 anaerobic respiration
GO:0042773 ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
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:7q5y, PDBe:7q5y, PDBj:7q5y
PDBsum7q5y
PubMed
UniProtO66748

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