Structure of PDB 1yve Chain L Binding Site BS01

Receptor Information
>1yve Chain L (length=513) Species: 3562 (Spinacia oleracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATTFDFDSSVFKKEKVTLSGHDEYIVRGGRNLFPLLPDAFKGIKQIGVIG
WGSQAPAQAQNLKDSLTEAKSDVVVKIGLRKGSNSFAEARAAGFSEENGT
LGDMWETISGSDLVLLLISDSAQADNYEKVFSHMKPNSILGLSHGFLLGH
LQSLGQDFPKNISVIAVCPKGMGPSVRRLYVQGKEVNGAGINSSFAVHQD
VDGRATDVALGWSIALGSPFTFATTLEQEYKSDIFGERGILLGAVHGIVE
CLFRRYTESGMSEDLAYKNTVECITGVISKTISTKGMLALYNSLSEEGKK
DFQAAYSASYYPSMDILYECYEDVASGSEIRSVVLAGRRFYEKEGLPAFP
MGKIDQTRMWKVGEKVRSVRPAGDLGPLYPFTAGVYVALMMAQIEILRKK
GHSYSEIINESVIEAVDSLNPFMHARGVSFMVDNCSTTARLGSRKWAPRF
DYILSQQALVAVDNGAPINQDLISNFLSDPVHEAIGVCAQLRPSVDISVT
ADADFVRPELRQA
Ligand information
Ligand IDNDP
InChIInChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
CACTVS 3.341NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)C1=CN(C=CC1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
FormulaC21 H30 N7 O17 P3
NameNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
ChEMBLCHEMBL407009
DrugBankDB02338
ZINCZINC000008215411
PDB chain1yve Chain K Residue 605 [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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PDB1yve The crystal structure of plant acetohydroxy acid isomeroreductase complexed with NADPH, two magnesium ions and a herbicidal transition state analog determined at 1.65 A resolution.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		G132 W133 S135 Q136 R162 S165 S167 L199 I200 S201 D202 A204 H226 M254 S518 T519 R589
Binding residue
(residue number reindexed from 1)		G50 W51 S53 Q54 R80 S83 S85 L117 I118 S119 D120 A122 H144 M172 S436 T437 R507
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K252 D315 E319
Catalytic site (residue number reindexed from 1) K170 D233 E237
Enzyme Commision number 1.1.1.86: ketol-acid reductoisomerase (NADP(+)).
Gene Ontology
Molecular Function
GO:0004455 ketol-acid reductoisomerase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0009082 branched-chain amino acid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1yve, PDBe:1yve, PDBj:1yve
PDBsum1yve
PubMed9218783
UniProtQ01292|ILV5_SPIOL Ketol-acid reductoisomerase, chloroplastic (Gene Name=AHRI)

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