Structure of PDB 8upp Chain A Binding Site BS02

Receptor Information
>8upp Chain A (length=327) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITVYYDKDCDLNLIKSKKVAIIGFGSQGHAHAMNLRDNGVNVTIGLREGS
VSAVKAKNAGFEVMSVSEASKIADVIMILAPDEIQADIFNVEIKPNLSEG
KAIAFAHGFNIHYGQIVVPKGVDVIMIAPKAPGHTVRNEFTLGGGTPCLI
AIHQDESKNAKNLALSYASAIGGGRTGIIETTFKAETETDLFGEQAVLCG
GLSALIQAGFETLVEAGYEPEMAYFECLHEMKLIVDLIYQGGIADMRYSI
SNTAEYGDYITGPKIITEETKKAMKGVLKDIQNGVFAKDFILERRAGFAR
MHAERKNMNDSLIEKTGRNLRAMMPWI
Ligand information
Ligand IDX9W
InChIInChI=1S/C4H9O4P/c1-9(2,8)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)/t4-/m1/s1
InChIKeyUTDPHALOLFEIHB-SCSAIBSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CP(=O)(C)C(C(=O)O)O
CACTVS 3.385C[P](C)(=O)[C@@H](O)C(O)=O
OpenEye OEToolkits 2.0.7CP(=O)(C)[C@H](C(=O)O)O
ACDLabs 12.01O=C(O)C(O)P(C)(C)=O
CACTVS 3.385C[P](C)(=O)[CH](O)C(O)=O
FormulaC4 H9 O4 P
Name(2R)-(dimethylphosphoryl)(hydroxy)acetic acid
ChEMBL
DrugBank
ZINC
PDB chain8upp Chain B Residue 404 [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]
PDB8upp Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Resolution1.78 Å
Binding residue
(original residue number in PDB)		A133 P134 D192 E196
Binding residue
(residue number reindexed from 1)		A131 P132 D190 E194
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.86: ketol-acid reductoisomerase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004455 ketol-acid reductoisomerase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050661 NADP 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:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8upp, PDBe:8upp, PDBj:8upp
PDBsum8upp
PubMed
UniProtQ9PHN5|ILVC_CAMJE Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)

[Back to BioLiP]