Structure of PDB 8rbq Chain C Binding Site BS01

Receptor Information
>8rbq Chain C (length=477) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFNLSSIRGGVHPAAHKDLSAALPIGSLPLPPRLYLPLRQHAGAEALPMV
AVGDKVLKGQLLAFPPTEVSAPVHAPTSGRIVAIGPVPAPHPSGLTTTGI
VLESDGEDRWIDLDVSTDPFAEDPLVLADRVAKAGIVGLGGAIFPAAVKL
KQGTRHEIKTVLVNGSECEPYLTCDDRIMRERAEAIVDGARLIQHILRAY
SVVIAIEDNKPEALAAMRAAAEHFGAIEVMAVPALYPMGSAKQLIQAVTG
REVPAGGRSTDVGVLVHNAGTVYAIQQALRFGRPLISRVVTVSGACVKTP
QNLDVLIGTPVQALIDACGGLSGDPQQLLLGGPMMGAVLPSTEVPVIKGA
TGLLALARHELPNKDPAPCIRCASCVDACPMGLTPLDMALYARADDYDGA
SEYGLRDCILCGCCSYVCPSHIPLVHYFQYAKGQQDERRSAARKSDYIKR
QTEVRAARLAEEEAAKAAAKAAKEAAK
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain8rbq Chain C Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8rbq Architecture of the RNF1 complex that drives biological nitrogen fixation.
Resolution3.32 Å
Binding residue
(original residue number in PDB)		G139 G141 N165 C169 G240 S241 N269 C412
Binding residue
(residue number reindexed from 1)		G138 G140 N164 C168 G239 S240 N268 C411
Annotation score4
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0022900 electron transport chain
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8rbq, PDBe:8rbq, PDBj:8rbq
PDBsum8rbq
PubMed38890433
UniProtC1DMA6

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