Structure of PDB 6mvf Chain C Binding Site BS01

Receptor Information
>6mvf Chain C (length=643) Species: 718252 (Faecalibacterium prausnitzii L2-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMREIISLNEGWTLRFPKGERAAETVTLPHTWNAVDGMDGNGSYLRTTG
VYSRTFKKPVQPLTGGRVYVEVLAAALDATVKVNGTVATTHEGGFSIFRA
DITDLCRDGDNELTIEVSNEDTPSMYPASADFTFYGGLYRGVNLISVPNA
HFDLDYYGGPGIMVTPKPTADGGATFEIKSFVTNPDDSFTVMYSIEDPYG
CEVASAVRPSDNTAISIYVPDAELWSMDEPNLYTVVARLQRNNEAFDEIY
ANVGVRSYTVTPDGGFSINGEATPLRGVSRHQDKLYKGNALTVEDHYQDA
QIIKELGANTIRLAHYQHSQDFYDACDELGFAVWAEIPFISVFKSGKDAH
THVMEEMKELIIQNYNHPSILFWGISNEILIGGISQELVDTHHDLQKLCK
ELDPTRLTTIAHVSHTPTSGPMHRITDVESYNHYFGWYGGKIEQNGPWLD
KFHAENPDICLGISEYGCEGIINWHSNTPQCKDYSEEYQALYHEYMAQAF
EDRPWIWASHVWNMFDFGCAARSEGGVKGRNNKGLVTIDRKTRKDSFYVY
QAYWAKDPMVHIAGRRHAQRAGETTEVKVYSNQDTVTLYCNGKEVGTQTA
HRVFKFDVALDEGFNVLMAVADTVKDSITLEKVETEPACYTLP
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 chain6mvf Chain C Residue 801 [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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PDB6mvf Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		D151 Y154 M161 F179 K356 I360 Y363
Binding residue
(residue number reindexed from 1)		D153 Y156 M163 F181 K358 I362 Y365
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6mvf, PDBe:6mvf, PDBj:6mvf
PDBsum6mvf
PubMed30658055
UniProtD4K3H3

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