Structure of PDB 1fc4 Chain A Binding Site BS01

Receptor Information
>1fc4 Chain A (length=401) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMRGEFYQQLTNDLETARAEGLFKEERIITSAQQADITVADGSHVINF
CANNYLGLANHPDLIAAAKAGMDSHGFGMASVRFICGTQDSHKELEQKLA
AFLGMEDAILYSSCFDANGGLFETLLGAEDAIISDALNHASIIDGVRLCK
AKRYRYANNDMQELEARLKEAREAGARHVLIATDGVFSMDGVIANLKGVC
DLADKYDALVMVDDSHAVGFVGENGRGSHEYCDVMGRVDIITGTLGKALG
GASGGYTAARKEVVEWLRQRSRPYLFSNSLAPAIVAASIKVLEMVEAGSE
LRDRLWANARQFREQMSAAGFTLAGADHAIIPVMLGDAVVAQKFARELQK
EGIYVTGFFYPVVPKGQARIRTQMSAAHTPEQITRAVEAFTRIGKQLGVI
A
Ligand information
Ligand IDAKB
InChIInChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeySAUCHDKDCUROAO-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CC(=O)C(C(=O)O)N
CACTVS 3.341CC(=O)[C@H](N)C(O)=O
CACTVS 3.341CC(=O)[CH](N)C(O)=O
ACDLabs 10.04O=C(C)C(N)C(=O)O
FormulaC4 H7 N O3
Name2-AMINO-3-KETOBUTYRIC ACID
ChEMBL
DrugBankDB03915
ZINCZINC000000901672
PDB chain1fc4 Chain A Residue 1200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fc4 Three-dimensional structure of 2-amino-3-ketobutyrate CoA ligase from Escherichia coli complexed with a PLP-substrate intermediate: inferred reaction mechanism.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N50 H136 S185 H213 K244 R368
Binding residue
(residue number reindexed from 1)		N53 H139 S188 H216 K247 R371
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N50 H136 D181 S185 D210 H213 K244
Catalytic site (residue number reindexed from 1) N53 H139 D184 S188 D213 H216 K247
Enzyme Commision number 2.3.1.29: glycine C-acetyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008890 glycine C-acetyltransferase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0016874 ligase activity
GO:0030170 pyridoxal phosphate binding
GO:0046872 metal ion binding
Biological Process
GO:0006567 threonine catabolic process
GO:0009058 biosynthetic process
GO:0019518 L-threonine catabolic process to glycine
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1fc4, PDBe:1fc4, PDBj:1fc4
PDBsum1fc4
PubMed11318637
UniProtP0AB77|KBL_ECOLI 2-amino-3-ketobutyrate coenzyme A ligase (Gene Name=kbl)

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