Structure of PDB 3i7s Chain B Binding Site BS01

Receptor Information
>3i7s Chain B (length=292) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFTGSIVAIVTPMDEKGNVCRASLKKLIDYHVASGTSAIVSVGTTGESAT
LNHDEHADVVMMTLDLADGRIPVIAGTGANATAEAISLTQRFNDSGIVGC
LTVTPYYNRPSQEGLYQHFKAIAEHTDLPQILYNVPSRTGCDLLPETVGR
LAKVKNIIGIREATGNLTRVNQIKELVSDDFVLLSGDDASALDFMQLGGH
GVISVTANVAARDMAQMCKLAAEGHFAEARVINQRLMPLHNKLFVEPNPI
PVKWACKELGLVATDTLRLPMTPITDSGRETVRAALKHAGLL
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 chain3i7s Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3i7s How essential is the 'essential' active-site lysine in dihydrodipicolinate synthase?
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G43 T44 T45 Y133
Binding residue
(residue number reindexed from 1)		G43 T44 T45 Y133
Annotation score5
Binding affinityMOAD: Kd=0.0299mM
Enzymatic activity
Catalytic site (original residue number in PDB) T44 Y107 Y133 R138 R161 I203
Catalytic site (residue number reindexed from 1) T44 Y107 Y133 R138 R161 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:0042802 identical protein 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:3i7s, PDBe:3i7s, PDBj:3i7s
PDBsum3i7s
PubMed20353808
UniProtP0A6L2|DAPA_ECOLI 4-hydroxy-tetrahydrodipicolinate synthase (Gene Name=dapA)

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