Structure of PDB 6den Chain A Binding Site BS02

Receptor Information
>6den Chain A (length=599) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKKEQLMDDSFIGLTGGEIFHEMMLRHKVDTVFGYAGGAILPVFDAIYNS
DKFKFVLPRHEQGAGHMAEGYARASGKPGVVLVTSGPGATNVITPMADAL
MDGVPLVVFSGQVPTTAIGTDAFQEADIVGISRSCTKWNVMVKNVAELPR
RINEAFEIATTGRPGPVLVDLPKDVTASILRESIPINTTLPAVSEFTSEA
IKRAANILNKAKKPIIYAGAGILNNEQGPKLLKELADKANIPVTTTLQGL
GAFDQRDPKSLDMLGMHGSAAANTAIQNADCIIALGARFDDRVTGNISKF
APEAKLAASEGRGGILHFEISPKNINKVVEATEAIEGDVTANLQSFIPLV
DSIENRPEWFNKINEWKKKYPYSYQLETPGSLIKPQTLIKEISDQAQTYN
KEVIVTTGVGQHQMWAAQHFTWTQPRTMITSGGLGTMGYGLPAAIGAQVA
KPDAIVIDIDGDASFNMTLTELSSAVQAGAPIKVCVLNNEEQGMVTQWQS
LFYEHRYSHTHQSNPDFMKLAESMNVKGIRITNQQELKSGVKEFLDATEP
VLLEVIVEKKVPVLPMVPAGKALDDFILWDAEVEKQQNDLRKERTGGKY
Ligand information
Ligand IDG8A
InChIInChI=1S/C15H15IN4O6S/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)
InChIKeyMBKBRLAPOVKBPR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)I)OC
CACTVS 3.385CCOC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(I)cc(OC)n2
ACDLabs 12.01c1(nc(nc(OC)c1)NC(=O)NS(c2ccccc2C(OCC)=O)(=O)=O)I
FormulaC15 H15 I N4 O6 S
Nameethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate;
iodomuron methyl
ChEMBLCHEMBL2313158
DrugBank
ZINCZINC000095598155
PDB chain6den Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB6den Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Resolution1.806 Å
Binding residue
(original residue number in PDB)		M350 D375 R376 W582
Binding residue
(residue number reindexed from 1)		M266 D291 R292 W498
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6den, PDBe:6den, PDBj:6den
PDBsum6den
PubMed30249642
UniProtA0A1D8PJF9

[Back to BioLiP]