Structure of PDB 6s32 Chain A Binding Site BS01

Receptor Information
>6s32 Chain A (length=350) Species: 54299 (Chroococcidiopsis thermalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDLFSPVRLGRYELPNRMVMAPLTRNRAGEGNVPRELNAEYYAQRVSAGL
IITEATQVSPQGLGYPFTPGIHSQEQVEGWRLVTKAVHDRGGKIFLQLWH
VGRISHPDLQVDGALPVAPSAIAPSEGMAATYEGEKPYVTPRALETAEIP
GIVEQYRQGAKNALAAGFDGVEIHSANGYLLDQFLHDGSNHRTDEYGGSI
ENRARLLMEVTEAVVSVWGADRVGVRLSPSGTFGSVYDSDLKALFTYVVD
ALNQFELAYLHLVEPTSELSSKYFRPIYKGTLISAGGYDRESGNAVLASG
DADLVAYGRLFISNPDLPQRFALNAQLNPYDRSSFYGGDKRGYTDYPSLE
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 chain6s32 Chain A Residue 403 [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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PDB6s32 Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		P26 L27 T28 A59 Q101 H178 N181 R230 G301 G302 G323 R324 F350 Y351
Binding residue
(residue number reindexed from 1)		P22 L23 T24 A55 Q97 H174 N177 R226 G286 G287 G308 R309 F335 Y336
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T28 H178 N181 Y183 R230 G238
Catalytic site (residue number reindexed from 1) T24 H174 N177 Y179 R226 G234
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6s32, PDBe:6s32, PDBj:6s32
PDBsum6s32
PubMed31930452
UniProtK9TVC9

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