Structure of PDB 8upp Chain A Binding Site BS02
Receptor Information
>8upp Chain A (length=327) Species:
197
(Campylobacter jejuni) [
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ITVYYDKDCDLNLIKSKKVAIIGFGSQGHAHAMNLRDNGVNVTIGLREGS
VSAVKAKNAGFEVMSVSEASKIADVIMILAPDEIQADIFNVEIKPNLSEG
KAIAFAHGFNIHYGQIVVPKGVDVIMIAPKAPGHTVRNEFTLGGGTPCLI
AIHQDESKNAKNLALSYASAIGGGRTGIIETTFKAETETDLFGEQAVLCG
GLSALIQAGFETLVEAGYEPEMAYFECLHEMKLIVDLIYQGGIADMRYSI
SNTAEYGDYITGPKIITEETKKAMKGVLKDIQNGVFAKDFILERRAGFAR
MHAERKNMNDSLIEKTGRNLRAMMPWI
Ligand information
Ligand ID
X9W
InChI
InChI=1S/C4H9O4P/c1-9(2,8)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)/t4-/m1/s1
InChIKey
UTDPHALOLFEIHB-SCSAIBSYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
CP(=O)(C)C(C(=O)O)O
CACTVS 3.385
C[P](C)(=O)[C@@H](O)C(O)=O
OpenEye OEToolkits 2.0.7
CP(=O)(C)[C@H](C(=O)O)O
ACDLabs 12.01
O=C(O)C(O)P(C)(C)=O
CACTVS 3.385
C[P](C)(=O)[CH](O)C(O)=O
Formula
C4 H9 O4 P
Name
(2R)-(dimethylphosphoryl)(hydroxy)acetic acid
ChEMBL
DrugBank
ZINC
PDB chain
8upp Chain B Residue 404 [
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Receptor-Ligand Complex Structure
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PDB
8upp
Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Resolution
1.78 Å
Binding residue
(original residue number in PDB)
A133 P134 D192 E196
Binding residue
(residue number reindexed from 1)
A131 P132 D190 E194
Annotation score
1
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
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Biological Process
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Cellular Component
External links
PDB
RCSB:8upp
,
PDBe:8upp
,
PDBj:8upp
PDBsum
8upp
PubMed
UniProt
Q9PHN5
|ILVC_CAMJE Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)
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