Structure of PDB 1ve5 Chain D Binding Site BS01

Receptor Information

>1ve5 Chain D (length=280) Species: 300852 (Thermus thermophilus HB8)

PSLQDLYAAFRRIAPYTHRTPLLTSRLLDGLLGKRLLLKAEHLQKTGSFK
ARGALSKALALENPKGLLAVSSGNHAQGVAYAAQVLGVKALVVMPVARAL
QEETGYALIHPFDDPLVIAGQGTAGLELLAQAGRMGVFPGAVLAPVGGGG
LLAGLATAVKALSPTTLVLGVEPEAADDAKRSLEAGRILRLEAPPRTRAD
GVRTLSLGERTFPILRERVDGILTVSEEALLEAERLLFTRTKQVVEPTGA
LPLAAVLEHGARLPQTLALLLSGGNRDFSP

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: 1ve5 Chain D Residue 2002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ve5 Crystal Structure of T.th. HB8 Threonine deaminase
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): E203 A207 D209
• Binding residue (residue number reindexed from 1): E172 A176 D178
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K51 S57 S73 E203 A207 D209 G232 L302 S303
• Catalytic site (residue number reindexed from 1): K50 S56 S72 E172 A176 D178 G201 L271 S272
• Enzyme Commision number: 4.3.1.19: threonine ammonia-lyase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0003941 L-serine ammonia-lyase activity
• GO:0005524 ATP binding
• GO:0018114 threonine racemase activity
• GO:0030170 pyridoxal phosphate binding
• GO:0030378 serine racemase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0070179 D-serine biosynthetic process

External links

• PDB: RCSB:1ve5, PDBe:1ve5, PDBj:1ve5
• PDBsum: 1ve5
• UniProt: Q5SLL4