Structure of PDB 3rk8 Chain B Binding Site BS01

Receptor Information
>3rk8 Chain B (length=291) Species: 575584 (Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIQGSIVAIVTPMLKDGGVDWKSLEKLVEWHIEQGTNSIVAVGTTGEAST
LSMEEHTQVIKEIIRVANKRIPIIAGTGANSTREAIELTKAAKDLGADAA
LLVTPYYNKPTQEGLYQHYKAIAEAVELPLILYNVPGRTGVDLSNDTAVR
LAEIPNIVGIKDATGDVPRGKALIDALNGKMAVYSGDDETAWELMLLGAD
GNISVTANIAPKAMSEVCAVAIAKDEQQAKTLNNKIANLHNILFCESNPI
PVKWALHEMGLIDTGIRLPLTPLAEQYREPLRNALKDAGII
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 chain3rk8 Chain B Residue 292 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rk8 Crystal structure of the chloride inhibited dihydrodipicolinate synthase from Acinetobacter baumannii complexed with pyruvate at 1.8 A resolution
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y133 R138 K161 G186 F244 N248
Binding residue
(residue number reindexed from 1)		Y133 R138 K161 G186 F244 N248
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T44 Y107 Y133 R138 K161 I203
Catalytic site (residue number reindexed from 1) T44 Y107 Y133 R138 K161 I203
Enzyme Commision number 4.3.3.7: 4-hydroxy-tetrahydrodipicolinate synthase.
Gene Ontology
Molecular Function
GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process
GO:0044281 small molecule metabolic process
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:3rk8, PDBe:3rk8, PDBj:3rk8
PDBsum3rk8
PubMed
UniProtD0CFC3

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