Structure of PDB 3rh7 Chain F Binding Site BS01

Receptor Information
>3rh7 Chain F (length=286) Species: 266834 (Sinorhizobium meliloti 1021) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFDPRALRDAFGAFATGVTVVTASDAAGKPIGFTANSFTSVSLDPPLLLV
CLAKSSRNYESMTSAGRFAINVLSETQKDVSNTFARPVEDRFAAVDWRLG
RDGCPIFSDVAAWFECSMQDIIEAGDHVIIIGRVTAFENSGLNGLGYARG
GYFTPRLAGKAVSAAVEGEIRLGAVLEQQGAVFLAGNETLSLPNCTVEGG
DPARTLAAYLEQLTGLNVTIGFLYSVYEDKSDGRQNIVYHALASDGAPRQ
GRFLRPAELAAAKFSSSATADIINRFVLESSIGNFG
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 chain3rh7 Chain F Residue 321 [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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PDB3rh7 Crystal structure of a Hypothetical oxidoreductase (SMa0793) from SINORHIZOBIUM MELILOTI 1021 at 3.00 A resolution
Resolution3.0 Å
Binding residue
(original residue number in PDB)		T38 A39 N40 S41 C55 L56 A57 S60 R61 N62 A89 R95 Y151 G287 N288
Binding residue
(residue number reindexed from 1)		T34 A35 N36 S37 C51 L52 A53 S56 R57 N58 A85 R91 Y147 G283 N284
Annotation score2
Enzymatic activity
Enzyme Commision number 1.5.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016646 oxidoreductase activity, acting on the CH-NH group of donors, NAD or NADP as acceptor
GO:0042602 riboflavin reductase (NADPH) activity

View graph for
Molecular Function
External links
PDB RCSB:3rh7, PDBe:3rh7, PDBj:3rh7
PDBsum3rh7
PubMed
UniProtQ92ZM6|Y0793_RHIME Probable flavin reductase (Gene Name=SMa0793)

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