Structure of PDB 6agz Chain A Binding Site BS01

Receptor Information
>6agz Chain A (length=386) Species: 4919 (Pichia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLADTNLFKPIKVGKIELKNRLVFPPTTRFRNTSDFVATDSMLSYYSQRA
ENNGGLLITEATFGAPQFGLYQNGPMIYTDRQVEAWKKIVEEVHKKGSHI
SMQLWNLGRAADPKLLKEHGLPFLAPSALYFSEESKKAAEEAGNEVQAMT
LEQIEQTKKDYVNAAKNAIQKAGFDMVEVHSAHGYLLDQFIQTTANKRTD
KYGGSIENRARLLLEVIDLVIEAVGADHVAVRLSPYATFQGSGGVDAEVH
PIAQFGYILSELERRAKEGKRLAYVSIVEPEDNSWMLQIWKGVVLRSGGY
LSEKGIAHLIKDVNADDRTLIGCSRYFTSNPDLPNRLRDGLPLTPYDRSR
FYKIFSNDGYLTWGKYGEPEQPSDSAIALKTPQPLA
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 chain6agz 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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PDB6agz Structural basis of different substrate preferences of two old yellow enzymes from yeasts in the asymmetric reduction of enone compounds.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		P33 T34 T35 A68 Q110 H187 R239 G317 C342 S343 R344 F370 Y371
Binding residue
(residue number reindexed from 1)		P26 T27 T28 A61 Q103 H180 R232 G298 C323 S324 R325 F351 Y352
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T35 H187 H190 Y192 R239 Q247
Catalytic site (residue number reindexed from 1) T28 H180 H183 Y185 R232 Q240
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003959 NADPH dehydrogenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:6agz, PDBe:6agz, PDBj:6agz
PDBsum6agz
PubMed30445889
UniProtA0A5H1ZR30

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