Structure of PDB 6r9v Chain A Binding Site BS01

Receptor Information
>6r9v Chain A (length=369) Species: 862514 (Pediococcus acidilactici DSM 20284) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTMINGYEQSDREEKIDILNLESLEKQAEEIIPAGGFGYIAGGSEDEWTL
KQNRMAFHHRQIAPKALSGIEKPELNTEIFGIPLNTPVMMAPAGAQGLAH
SQGEKDTARGLAAVGGLMAQSTYSSVSIAETAAAGGDAPQFFQLYMSKDW
NFNESLLDEAKKANVKAIILTVDATVDGYREADIKNKFTFPLPMANLIKF
SEGNGQGKGIEEIYASAAQNIRPEDVKRIADYTNLPVIVKGIQTPEDAIR
AIDAGAAGIYVSNHGGRQLNGGPASFDVLEDIATAVNKQVPIIFDSGVRR
GSDVFKALASGADLVALGRPVIYGLALGGAKGVQSVFEHLNHELEIVMQL
AGTKTIEDVKNNSLLNIKY
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 chain6r9v Chain A Residue 401 [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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PDB6r9v FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I40 A91 P92 A93 G94 Q143 Y145 T171 K240 H264 R267 D295 S296 R299 G318 R319
Binding residue
(residue number reindexed from 1)		I40 A91 P92 A93 G94 Q143 Y145 T171 K240 H264 R267 D295 S296 R299 G318 R319
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y145 D173 H264
Catalytic site (residue number reindexed from 1) Y145 D173 H264
Enzyme Commision number 1.1.99.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004459 L-lactate dehydrogenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:6r9v, PDBe:6r9v, PDBj:6r9v
PDBsum6r9v
PubMed32092083
UniProtE0NE46

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