Structure of PDB 1ibw Chain B Binding Site BS01

Receptor Information
>1ibw Chain B (length=228) Species: 1593 (Lactobacillus sp. 30A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FTGVQGRVIGYDILRSPEVDKAKPLFTETQWDGSELPIYDAKPLQDALVE
YFGTEQDRRHYPAPGSFIVCANKGVTAERPKNDADMKPGQGYGVWSAIAI
SFAKDPTKDSSMFVEDAGVWETPNEDELLEYLEGRRKAMAKSIAECGQDA
HASFESSWIGFAYTMMEPGQIGNAITVAPYVSLPIDSIPGGSILTPDKDM
EIMENLTMPEWLEKMGYKSLSANNALKY
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain1ibw Chain B Residue 82 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ibw Structure and cooperativity of a T-state mutant of histidine decarboxylase from Lactobacillus 30a.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		F83 M194 F195
Binding residue
(residue number reindexed from 1)		F1 M112 F113
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F195 E197
Catalytic site (residue number reindexed from 1) F113 E115
Enzyme Commision number 4.1.1.22: histidine decarboxylase.
Gene Ontology
Molecular Function
GO:0004398 histidine decarboxylase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006547 L-histidine metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1ibw, PDBe:1ibw, PDBj:1ibw
PDBsum1ibw
PubMed11835507
UniProtP00862|DCHS_LACS3 Histidine decarboxylase proenzyme (Gene Name=hdcA)

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