Structure of PDB 5eer Chain A Binding Site BS01

Receptor Information

>5eer Chain A (length=247) Species: 196627 (Corynebacterium glutamicum ATCC 13032)

GIKVGVLGAKGRVGQTIVAAVNESDDLELVAEIGVDDDLSLLVDNGAEVV
VDFTTPNAVMGNLEFCINNGISAVVGTTGFDDARLEQVRDWLEGKDNVGV
LIAPNFAISAVLTMVFSKQAARFFESAEVIELHHPNKLDAPSGTAIHTAQ
GIAAARKEAGMDAQPDATEQALEGSRGASVDGIPVHAVRMSGMVAHEQVI
FGTQGQTLTIKQDSYDRNSFAPGVLVGVRNIAQHPGLVVGLEHYLGL

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 5eer Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5eer Structural Insight into Dihydrodipicolinate Reductase from Corybebacterium glutamicum for Lysine Biosynthesis.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): K138 S143 G144 T145
• Binding residue (residue number reindexed from 1): K137 S142 G143 T144
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H134 K138
• Catalytic site (residue number reindexed from 1): H133 K137
• 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

External links

• PDB: RCSB:5eer, PDBe:5eer, PDBj:5eer
• PDBsum: 5eer
• PubMed: 26502738
• UniProt: P40110|DAPB_CORGL 4-hydroxy-tetrahydrodipicolinate reductase (Gene Name=dapB)