Structure of PDB 3aey Chain B Binding Site BS02

Receptor Information

>3aey Chain B (length=348) Species: 300852 (Thermus thermophilus HB8)

RPPLIERYRNLLPVSEKTPVISLLEGSTPLIPLKGPEEARKKGIRLYAKY
EGLNPTGSFKDRGMTLAVSKAVEGGAQAVACASTGNTAASAAAYAARAGI
LAIVVLPAGYALGKVAQSLVHGARIVQVEGNFDDALRLTQKLTEAFPVAL
VNSVNPHRLEGQKTLAFEVVDELGDAPHYHALPVGNAGNITAHWMGYKAY
HALGKAKRLPRMLGFQAAGAAPLVLGRPVERPETLATAIRIGNPASWQGA
VRAKEESGGVIEAVTDEEILFAYRYLAREEGIFCEPASAAAMAGVFKLLR
EGRLEPESTVVLTLTGHGLKDPATAERVAELPPPVPARLEAVAAAAGL

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: 3aey Chain B Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3aey Product-assisted catalysis as the basis of the reaction specificity of threonine synthase.
• Resolution: 1.92 Å
• Binding residue (original residue number in PDB): R229 V231 E232 R233
• Binding residue (residue number reindexed from 1): R227 V229 E230 R231
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K61 T85 P212 G216 Q218 A240 T317
• Catalytic site (residue number reindexed from 1): K60 T84 P210 G214 Q216 A238 T315
• Enzyme Commision number: 4.2.3.1: threonine synthase.

Gene Ontology

Molecular Function

• GO:0004795 threonine synthase activity
• GO:0016829 lyase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0009088 threonine biosynthetic process
• GO:0019344 cysteine biosynthetic process
• GO:1901605 alpha-amino acid metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3aey, PDBe:3aey, PDBj:3aey
• PDBsum: 3aey
• PubMed: 21084312
• UniProt: Q5SL02