Structure of PDB 6kqj Chain B Binding Site BS04

Receptor Information
>6kqj Chain B (length=328) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKTVLDANLDPLKGKTIGVIGYGNQGRVQATIMRENGLNVIVGNVKDKYY
ELAKKEGFEVYEIDEAVRRSDVALLLIPDEVMKEVYEKKIAPVLQGKKEF
VLDFASGYNVAFGLIRPPKSVDTIMVAPRMVGEGIMDLHKQGKGYPVLLG
VKQDASGKAWDYAKAIAKGIGAIPGGIAVISSFEEEALLDLMSEHTWVPI
LFGAIKACYDIAVKEYGVSPEAALLEFYASGELAEIARLIAEEGIFNQMV
HHSTTSQYGTLTRMFKYYDVVRRIVENEAKYIWDGSFAKEWSLEQQAGYP
VFYRLWELATQSEMAKAEKELYKLLGRK
Ligand information
Ligand ID9TY
InChIInChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKeyFDKLLWKMYAMLIF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)C1(CC1)C(O)=O
ACDLabs 12.01C(=O)(O)C1(C(O)=O)CC1
OpenEye OEToolkits 2.0.6C1CC1(C(=O)O)C(=O)O
FormulaC5 H6 O4
Namecyclopropane-1,1-dicarboxylic acid
ChEMBLCHEMBL1993862
DrugBank
ZINCZINC000000388470
PDB chain6kqj Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kqj Temperature-Resolved Cryo-EM Uncovers Structural Bases of Temperature-Dependent Enzyme Functions.
Resolution2.54 Å
Binding residue
(original residue number in PDB)		D191 E195
Binding residue
(residue number reindexed from 1)		D190 E194
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.86: ketol-acid reductoisomerase (NADP(+)).
Gene Ontology
Molecular Function
GO:0004455 ketol-acid reductoisomerase activity
GO:0016491 oxidoreductase activity
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6kqj, PDBe:6kqj, PDBj:6kqj
PDBsum6kqj
PubMed31829582
UniProtQ97YJ9|ILVC2_SACS2 Putative ketol-acid reductoisomerase 2 (Gene Name=ilvC2)

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