Structure of PDB 6rhs Chain A Binding Site BS01

Receptor Information
>6rhs Chain A (length=359) Species: 862514 (Pediococcus acidilactici DSM 20284) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMINGYEQSDREEKIDILNLESLEKQAEEIIPAGGFGYIAGGSEDEWTLK
QNRMAFHHRQIAPKALSGIEKPELNTEIFGIPLNTPVMMAPAAAQGLAHS
QGEKDTARGLAAVGGLMAQSTYSSVSIAETAAAGGDAPQFFQLYMSKDWN
FNESLLDEAKKANVKAIILTVDATVDGYREADIKNKFTFPLPMANLIKFS
EGIYASAAQNIRPEDVKRIADYTNLPVIVKGIQTPEDAIRAIDAGAAGIY
VSNHGGRQLNGGPASFDVLEDIATAVNKQVPIIFDSGVRRGSDVFKALAS
GADLVALGRPVIYGLALGGAKGVQSVFEHLNHELEIVMQLAGTKTIEDVK
NNSLLNIKY
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 chain6rhs Chain A Residue 501 [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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PDB6rhs FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		A91 P92 A93 A94 S121 Q143 Y145 T171 K240 H264 G265 R267 D295 S296 R299 G318 R319
Binding residue
(residue number reindexed from 1)		A90 P91 A92 A93 S120 Q142 Y144 T170 K230 H254 G255 R257 D285 S286 R289 G308 R309
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y145 D173 H264
Catalytic site (residue number reindexed from 1) Y144 D172 H254
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:6rhs, PDBe:6rhs, PDBj:6rhs
PDBsum6rhs
PubMed32092083
UniProtE0NE46

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