Structure of PDB 6del Chain A Binding Site BS02

Receptor Information
>6del Chain A (length=597) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEQLMDDSFIGLTGGEIFHEMMLRHKVDTVFGYAGGAILPVFDAIYNSDK
FKFVLPRHEQGAGHMAEGYARASGKPGVVLVTSGPGATNVITPMADALMD
GVPLVVFSGQVPTTAIGTDAFQEADIVGISRSCTKWNVMVKNVAELPRRI
NEAFEIATTGRPGPVLVDLPKDVTASILRESIPINTTLPSVSEFTSEAIK
RAANILNKAKKPIIYAGAGILNNEQGPKLLKELADKANIPVTTTLQGLGA
FDQRDPKSLDMLGMHGSAAANTAIQNADCIIALGARFDDRVTGNISKFAP
EAKLAASEGRGGILHFEISPKNINKVVEATEAIEGDVTANLQSFIPLVDS
IENRPEWFNKINEWKKKYPYSYQLETPGSLIKPQTLIKEISDQAQTYNKE
VIVTTGVGQHQMWAAQHFTWTQPRTMITSGGLGTMGYGLPAAIGAQVAKP
DAIVIDIDGDASFNMTLTELSSAVQAGAPIKVCVLNNEEQGMVTQWQSLF
YEHRYSHTHQSNPDFMKLAESMNVKGIRITNQQELKSGVKEFLDATEPVL
LEVIVEKKVPVLPMVPAGKALDDFILWDAEVEKQQNDLRKERTGGKY
Ligand information
Ligand IDCIE
InChIInChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyNSWAMPCUPHPTTC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC
CACTVS 3.341CCOC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(Cl)cc(OC)n2
ACDLabs 10.04O=C(Nc1nc(OC)cc(Cl)n1)NS(=O)(=O)c2ccccc2C(=O)OCC
FormulaC15 H15 Cl N4 O6 S
Name2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER;
CHLORIMURON ETHYL
ChEMBLCHEMBL1231791
DrugBank
ZINCZINC000000900590
PDB chain6del Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6del Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Resolution2.119 Å
Binding residue
(original residue number in PDB)		D375 R376 W582
Binding residue
(residue number reindexed from 1)		D289 R290 W496
Annotation score1
Enzymatic activity
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
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:0000463 maturation of LSU-rRNA from tricistronic rRNA transcript (SSU-rRNA, 5.8S rRNA, LSU-rRNA)
GO:0006412 translation
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
GO:0030150 protein import into mitochondrial matrix
Cellular Component
GO:0005948 acetolactate synthase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6del, PDBe:6del, PDBj:6del
PDBsum6del
PubMed30249642
UniProtA0A1D8PJF9

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