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Structure of PDB 6u9d Chain E Binding Site BS06

Receptor Information >6u9d Chain E (length=603) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MDTSFVGLTGGQIFNEMMSRQNVDTVFGYPGGAILPVYDAIHNSDKFNFV LPKHEQGAGHMAEGYARASGKPGVVLVTSGPGATNVVTPMADAFADGIPM VVFTGQVPTSAIGTDAFQEADVVGISRSCTKWNVMVKSVEELPLRINEAF EIATSGRPGPVLVDLPKDVTAAILRNPIPTKTTLPSNALNQLTSRAQDEF VMQSINKAADLINLAKKPVLYVGAGILNHADGPRLLKELSDRAQIPVTTT LQGLGSFDQEDPKSLDMLGMHGCATANLAVQNADLIIAVGARFDDRVTGN ISKFAPEARRAAAEGRGGIIHFEVSPKNINKVVQTQIAVEGDATTNLGKM MSKIFPVKERSEWFAQINKWKKEYPYAYMEETPGSKIKPQTVIKKLSKVA NDTGRHVIVTTGVGQHQMWAAQHWTWRNPHTFITSGGLGTMGYGLPAAIG AQVAKPESLVIDIDGDASFNMTLTELSSAVQAGTPVKILILNNEEQGMVT QWQSLFYEHRYSHTHQLNPDFIKLAEAMGLKGLRVKKQEELDAKLKEFVS TKGPVLLEVEVDKKVPVLPMVAGGSGLDEFINFDPEVERQQTELRHKRTG GKH

Ligand information Ligand ID 60G InChI InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22) InChIKey XMQFTWRPUQYINF-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.4 COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC CACTVS 3.385 COC(=O)c1ccccc1C[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2 Formula C16 H18 N4 O7 S Name methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate; Bensulfuron methyl ChEMBL CHEMBL2313154 DrugBank ZINC ZINC000001532062 PDB chain 6u9d Chain F Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6u9d Structures of fungal and plant acetohydroxyacid synthases. Resolution 3.194 Å Binding residue (original residue number in PDB) G116 A117 V191 P192 A195 F201 K251 Binding residue (residue number reindexed from 1) G32 A33 V107 P108 A111 F117 K167 Annotation score 1 Binding affinity BindingDB: Ki=4.4nM

Enzymatic activity Catalytic site (original residue number in PDB) Y113 G115 G116 A117 I118 E139 T162 F201 Q202 E203 K251 M354 V381 V497 G523 M525 D550 N577 E579 Q580 M582 V583 W586 Catalytic site (residue number reindexed from 1) Y29 G31 G32 A33 I34 E55 T78 F117 Q118 E119 K167 M270 V297 V413 G439 M441 D466 N493 E495 Q496 M498 V499 W502 Enzyme Commision number 2.2.1.6: acetolactate synthase.

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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