Structure of PDB 8ahx Chain D Binding Site BS02

Receptor Information
>8ahx Chain D (length=349) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVAAGPFAHDRSSVNRIMLDVCLALTPATLFGLVMFGWPAINLWLVTCVS
ALAIEAACLRLLGQPMRRLLDGSALLTGWLLAISLPPWAPWWIGVGGSLF
AIGIGKQLYGGIGQNPFNPAMLARVALLIAFPLQMTTWALPHPLFSSSAP
GFFDSLAITFAGAPLADGMTGATALGNLKTELTLNRTAQEILEGGFSTIS
ALFGSTPGSLGETSELLLLVGGVWLVLRRIIHWEIPVAILASVFVMATLA
YLINPERYAGGLYQLTSGGLILCAFFIATDPVTSPISRVGRLIFGVGCGV
LIYVIRTWGSFPEAAAFAVLFMNALTPLIDRYWRPRAYGRNVRGKPLVA
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 chain8ahx Chain D Residue 411 [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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PDB8ahx Architecture of the NADH:ferredoxin oxidoreductase RNF that drives Biological Nitrogen Fixation
Resolution3.11 Å
Binding residue
(original residue number in PDB)		M125 R128 L132 W142 T177 A178 L179 G272 G273 P316 E317 F321
Binding residue
(residue number reindexed from 1)		M121 R124 L128 W138 T173 A174 L175 G268 G269 P312 E313 F317
Annotation score4
Enzymatic activity
Enzyme Commision number 7.-.-.-
Gene Ontology
Biological Process
GO:0022900 electron transport chain
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ahx, PDBe:8ahx, PDBj:8ahx
PDBsum8ahx
PubMed38890433
UniProtC1DMA5

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