Structure of PDB 1c1x Chain B Binding Site BS02

Receptor Information
>1c1x Chain B (length=347) Species: 1831 (Rhodococcus sp. (in: high G+C Gram-positive bacteria)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIDSALNWDGEMTVTRFDKMTGAHFVIRLDSTQLGPAAGGTRAAQYSQLA
DALTDAGKLAGAMTLKMAVSNLPMGGGKSVIALPAPRHSIDPSTWARILR
IHAENIDKLSGNYWTGPDVNTNSADMDTLNDTTEFVFGRSLERGGAGSSA
FTTAVGVFEAMKATVAHRGLGSLDGLTVLVQGLGAVGGSLASLAAEAGAQ
LLVADTDTERVAHAVALGHTAVALEDVLSTPCDVFAPCAMGGVITTEVAR
TLDCSVVAGAANNVIADEAASDILHARGILYAPDFVANAGGAIHLVGREV
LGWSESVVHERAVAIGDTLNQVFEISDNDGVTPDEAARTLAGRRARE
Ligand information
Ligand IDHFA
InChIInChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
InChIKeyVOXXWSYKYCBWHO-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)O
ACDLabs 10.04O=C(O)C(O)Cc1ccccc1
CACTVS 3.341O[C@@H](Cc1ccccc1)C(O)=O
CACTVS 3.341O[CH](Cc1ccccc1)C(O)=O
FormulaC9 H10 O3
NameALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID
ChEMBL
DrugBankDB02494
ZINCZINC000000388089
PDB chain1c1x Chain B Residue 761 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c1x Rhodococcus L-phenylalanine dehydrogenase: kinetics, mechanism, and structural basis for catalytic specificity.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		G39 G40 M63 F137 A292 L295
Binding residue
(residue number reindexed from 1)		G39 G40 M63 F137 A292 L295
Annotation score3
Enzymatic activity
Enzyme Commision number 1.4.1.20: phenylalanine dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016639 oxidoreductase activity, acting on the CH-NH2 group of donors, NAD or NADP as acceptor
GO:0050175 phenylalanine dehydrogenase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006559 L-phenylalanine catabolic process
GO:0009094 L-phenylalanine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1c1x, PDBe:1c1x, PDBj:1c1x
PDBsum1c1x
PubMed10924111
UniProtQ59771|DHPH_RHOSO Phenylalanine dehydrogenase (Gene Name=pdh)

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