Structure of PDB 1o5k Chain A Binding Site BS01

Receptor Information

>1o5k Chain A (length=295) Species: 243274 (Thermotoga maritima MSB8)

HMFRGVGTAIVTPFKNGELDLESYERLVRYQLENGVNALIVLGTTGESPT
VNEDEREKLVSRTLEIVDGKIPVIVGAGTNSTEKTLKLVKQAEKLGANGV
LVVTPYYNKPTQEGLYQHYKYISERTDLGIVVYNVPGRTGVNVLPETAAR
IAADLKNVVGIKEANPDIDQIDRTVSLTKQARSDFMVWSGNDDRTFYLLC
AGGDGVISVVSNVAPKQMVELCAEYFSGNLEKSREVHRKLRPLMKALFVE
TNPIPVKAALNLMGFIENELRLPLVPASEKTVELLRNVLKESGLL

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 1o5k Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1o5k Crystal structure of Dihydrodipicolinate synthase (TM1521) from Thermotoga maritima at 1.80 A resolution
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E64 D67
• Binding residue (residue number reindexed from 1): E65 D68
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T43 Y106 Y132 R137 K161 I206
• Catalytic site (residue number reindexed from 1): T44 Y107 Y133 R138 K162 I207
• 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

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

External links

• PDB: RCSB:1o5k, PDBe:1o5k, PDBj:1o5k
• PDBsum: 1o5k
• UniProt: Q9X1K9|DAPA_THEMA 4-hydroxy-tetrahydrodipicolinate synthase (Gene Name=dapA)