Structure of PDB 1z8n Chain A Binding Site BS02

Receptor Information
>1z8n Chain A (length=582) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFISRFAPDQPRKGADILVEALERQGVETVFAYPGGASMEIHQALTRSSS
IRNVLPRHEQGGVFAAEGYARSSGKPGICIATSGPGATNLVSGLADALLD
SVPLVAITGQVPRRMIGTDAFQETPIVEVTRSITKHNYLVMDVEDIPRII
EEAFFLATSGRPGPVLVDVPKDIQQQLAIPNWEQAMRLPGYMSRMPKPPE
DSHLEQIVRLISESKKPVLYVGGGCLNSSDELGRFVELTGIPVASTLMGL
GSYPCDDELSLHMLGMHGTVYANYAVEHSDLLLAFGVRFDDRVTGKLEAF
ASRAKIVHIDIDSAEIGKNKTPHVSVCGDVKLALQGMNKVLENRAEELKL
DFGVWRNELNVQKQKFPLSFKTFGEAIPPQYAIKVLDELTDGKAIISTGV
GQHQMWAAQFYNYKKPRQWLSSGGLGAMGFGLPAAIGASVANPDAIVVDI
DGDGSFIMNVQELATIRVENLPVKVLLLNNQHLGMVMQWEDRFYKANRAH
TFLGDPAQEDEIFPNMLLFAAACGIPAARVTKKADLREAIQTMLDTPGPY
LLDVICPHQEHVLPMIPSGGTFNDVITEGDGR
Ligand information
Ligand ID1IQ
InChIInChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1
InChIKeyCABMTIJINOIHOD-QGZVFWFLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)[C@@]1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C
ACDLabs 10.04O=C(O)c2c(nc1ccccc1c2)C3=NC(C(=O)N3)(C(C)C)C
OpenEye OEToolkits 1.5.0CC(C)C1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C
CACTVS 3.341CC(C)[C]1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O
CACTVS 3.341CC(C)[C@@]1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O
FormulaC17 H17 N3 O3
Name2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID;
IMAZAQUIN
ChEMBLCHEMBL1229742
DrugBankDB04582
ZINCZINC000003851892
PDB chain1z8n Chain A Residue 694 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z8n Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K220 R246 Y276 R279 D397
Binding residue
(residue number reindexed from 1)		K135 R161 Y191 R194 D312
Annotation score1
Binding affinityBindingDB: Ki=3000nM
Enzymatic activity
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003984 acetolactate synthase activity
GO:0030976 thiamine pyrophosphate binding
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0009082 branched-chain amino acid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1z8n, PDBe:1z8n, PDBj:1z8n
PDBsum1z8n
PubMed16407096
UniProtP17597|ILVB_ARATH Acetolactate synthase, chloroplastic (Gene Name=ALS)

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