Structure of PDB 5tej Chain C Binding Site BS02

Receptor Information
>5tej Chain C (length=268) Species: 216895 (Vibrio vulnificus CMCP6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMVRIAVAGAAGRMGRNLVKAAHHNPVAKVAAGSERPESSLVGVDLGELC
GEGKFDVVVCDDLAKQIDQFDVIIDFTAPASTLNNLALCQQYGKSIVIGT
TGFTEEQREQIDLVAQQVPVVMAPNYSVGVNLVFKLLEKAAKVMGDYCDI
EIVEAHHRHKVDAPSGTAIGMGEAIAGAMGNKLSDVAVYAREGITGERTK
DEIGFATIRAGDIVGEHTAMFADIGERVEITHKATDRMTFANGAVKAAVW
LHEKPAGFYTMTDVLGLN
Ligand information
Ligand ID7FN
InChIInChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyCHTHALBTIRVDBM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(oc1C(=O)O)C(=O)O
CACTVS 3.385OC(=O)c1oc(cc1)C(O)=O
ACDLabs 12.01OC(=O)c1ccc(o1)C(O)=O
FormulaC6 H4 O5
Name2,5 Furan Dicarboxylic Acid
ChEMBL
DrugBank
ZINCZINC000001672226
PDB chain5tej Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tej Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T100 H155 K159 S164 G165 T166
Binding residue
(residue number reindexed from 1)		T101 H156 K160 S165 G166 T167
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H155 K159
Catalytic site (residue number reindexed from 1) H156 K160
Enzyme Commision number 1.17.1.8: 4-hydroxy-tetrahydrodipicolinate reductase.
Gene Ontology
Molecular Function
GO:0008839 4-hydroxy-tetrahydrodipicolinate reductase
GO:0016491 oxidoreductase activity
GO:0016726 oxidoreductase activity, acting on CH or CH2 groups, NAD or NADP as acceptor
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic 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:5tej, PDBe:5tej, PDBj:5tej
PDBsum5tej
PubMed32980502
UniProtQ8DEM0|DAPB_VIBVU 4-hydroxy-tetrahydrodipicolinate reductase (Gene Name=dapB)

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