Structure of PDB 1t9g Chain S Binding Site BS01

Receptor Information
>1t9g Chain S (length=228) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRVLVAVKRVIDYAVKIRVKPDRTGVVTDGVKHSMNPFCEIAVEEAVRLK
EKKLVKEVIAVSCGPAQCQETIRTALAMGADRGIHVEVPPAEAERLGPLQ
VARVLAKLAEKEKVDLVLLGKQAIDDDCNQTGQMTAGFLDWPQGTFASQV
TLEGDKLKVEREIDGGLETLRLKLPAVVTADLRLNEPRYATLPNIMKAKK
KKIEVIKPGDLGVDLTSKLSVISVEDPP
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1t9g Chain S Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t9g Extensive domain motion and electron transfer in the human electron transferring flavoprotein-medium chain Acyl-CoA dehydrogenase complex
Resolution2.9 Å
Binding residue
(original residue number in PDB)		A9 V10 K11 C42 C66 V104 L122 G123 Q125 A126 D129 C131 N132 Q133 T134
Binding residue
(residue number reindexed from 1)		A6 V7 K8 C39 C63 V101 L119 G120 Q122 A123 D126 C128 N129 Q130 T131
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009055 electron transfer activity
Biological Process
GO:0009063 amino acid catabolic process
GO:0022904 respiratory electron transport chain
GO:0033539 fatty acid beta-oxidation using acyl-CoA dehydrogenase
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0045251 electron transfer flavoprotein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1t9g, PDBe:1t9g, PDBj:1t9g
PDBsum1t9g
PubMed15159392
UniProtP38117|ETFB_HUMAN Electron transfer flavoprotein subunit beta (Gene Name=ETFB)

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