Structure of PDB 5z2e Chain A Binding Site BS01

Receptor Information
>5z2e Chain A (length=265) Species: 1231057 (Paenisporosarcina sp. TG-14) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMIRVAIGGPRGKMGQEAVHTVMNNENMELVAVLDHKDIGDLLSESPNFP
ASYEVPVFLNLESLIVTIKPDVFLDLTTPHQVFEHTMLCLQNNVRPVIGT
TGFTDEQLQQCTILAEVNKLGCIVAPNFAIGAVLMMKFASLAAAYFPDVE
IIEMHHDQKLDAPSGTAYKTAQMIAEVRPSHKQGHPNEKETLEGARGASY
DGIPIHSVRLPGLIAHQQILFGGEGQLFTLRHDSYNRQSFMSGVTFSINQ
VMEIKELVYGLENIL
Ligand information
Ligand IDPDC
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyWJJMNDUMQPNECX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1nc(C(=O)O)ccc1
CACTVS 3.341OC(=O)c1cccc(n1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(nc(c1)C(=O)O)C(=O)O
FormulaC7 H5 N O4
NamePYRIDINE-2,6-DICARBOXYLIC ACID;
DIPICOLINIC ACID
ChEMBLCHEMBL284104
DrugBankDB04267
ZINCZINC000000105246
PDB chain5z2e Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5z2e Crystal structure of dihydrodipicolinate reductase (PaDHDPR) from Paenisporosarcina sp. TG-14: structural basis for NADPH preference as a cofactor
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H154 H155 K158 S163 G164 T165
Binding residue
(residue number reindexed from 1)		H155 H156 K159 S164 G165 T166
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.1.8: 4-hydroxy-tetrahydrodipicolinate reductase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
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:5z2e, PDBe:5z2e, PDBj:5z2e
PDBsum5z2e
PubMed29786696
UniProtA0A3B6UER2

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