Structure of PDB 1t9d Chain C Binding Site BS04

Receptor Information
>1t9d Chain C (length=575) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVGLTGGQIFNEMMSRQNVDTVFGYPGGAILPVYDAIHNSDKFNFVLPKH
EQGAGHMAEGYARASGKPGVVLVTSGPGATNVVTPMADAFADGIPMVVFT
GQVPTSAIGTDAFQEADVVGISRSCTKWNVMVKSVEELPLRINEAFEIAT
SGRPGPVLVDLPKDVTAAILRNPIPTKNKAADLINLAKKPVLYVGAGILN
HADGPRLLKELSDRAQIPVTTTLQGLGSFDQEDPKSLDMLGMHGCATANL
AVQNADLIIAVGARFDDRVTGNISKFAPEARRAAAEGRGGIIHFEVSPKN
INKVVQTQIAVEGDATTNLGKMMSKIFPVKERSEWFAQINKWKKEYPYAY
MEETPGSKIKPQTVIKKLSKVANDTGRHVIVTTGVGQHQMWAAQHWTWRN
PHTFITSGGLGTMGYGLPAAIGAQVAKPESLVIDIDGDASFNMTLTELSS
AVQAGTPVKILILNNEEQGMVTQWQSLFYEHRYSHTHQLNPDFIKLAEAM
GLKGLRVKKQEELDAKLKEFVSTKGPVLLEVEVDKKVPVLPMVAGGSGLD
EFINFDPEVERQQTELRHKRTGGKH
Ligand information
Ligand IDPYD
InChIInChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)
InChIKeyUXKNAXNFIYFMIB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cnc(nc1N)C
ACDLabs 10.04n1c(N)c(cnc1C)C
CACTVS 3.341Cc1ncc(C)c(N)n1
FormulaC6 H9 N3
Name2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE
ChEMBLCHEMBL1235533
DrugBankDB02372
ZINCZINC000003591110
PDB chain1t9d Chain C Residue 2703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t9d Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P114 E139 P165
Binding residue
(residue number reindexed from 1)		P26 E51 P77
Annotation score1
Enzymatic activity
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003984 acetolactate synthase activity
GO:0016740 transferase activity
GO:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process
Cellular Component
GO:0005739 mitochondrion
GO:0005948 acetolactate synthase complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1t9d, PDBe:1t9d, PDBj:1t9d
PDBsum1t9d
PubMed15709745
UniProtP07342|ILVB_YEAST Acetolactate synthase catalytic subunit, mitochondrial (Gene Name=ILV2)

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