Structure of PDB 2xz7 Chain A Binding Site BS01

Receptor Information

>2xz7 Chain A (length=324) Species: 119072 (Caldanaerobacter subterraneus subsp. tengcongensis)

HMEGLKQLKDLPAETPDGKKVMLAANIGTPKDVASALANGAEGVGLFRTE
FLYMDRNSLPSEEEQFEAYKEVVEKMGGRPVTIRTLDIGGDKELPYLDMP
KEMNPFLGYRAIRLCLDRPDIFKTQLRAILRASAYGNVQIMYPMISSVEE
VRKANSILEEVKAELDREGVKYDKEIKVGIMVEIPSAAVTADILAKEVDF
FSIGTNDLTQYTLAVDRMNEHVKEYYQPFHPAILRLVKMVIDAAHKEGKF
AAMCGEMAGDPLAAVILLGLGLDEFSMSATSIPEIKNIIRNVEYEKAKEI
AEKALNMSEAREIEKMMKDVIKDI

Ligand information

• Ligand ID: PEP
• InChI: InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
• InChIKey: DTBNBXWJWCWCIK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C=C(C(=O)O)OP(=O)(O)O
  CACTVS 3.341: OC(=O)C(=C)O[P](O)(O)=O
  ACDLabs 10.04: O=C(O)C(\OP(=O)(O)O)=C
• Formula: C3 H5 O6 P
• Name: PHOSPHOENOLPYRUVATE
• ChEMBL: CHEMBL1235228
• DrugBank: DB01819
• ZINC: ZINC000003870145
• PDB chain: 2xz7 Chain A Residue 6080

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2xz7 Phosphoenolpyruvate: Sugar Phosphotransferase System from the Hyperthermophilic Thermoanaerobacter Tengcongensis.
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): R296 R332 G452 N454 D455 R465 C502
• Binding residue (residue number reindexed from 1): R48 R84 G204 N206 D207 R217 C254
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): E431 S450 D455 C502 E522
• Catalytic site (residue number reindexed from 1): E183 S202 D207 C254 E274
• Enzyme Commision number: 2.7.3.9: phosphoenolpyruvate--protein phosphotransferase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016772 transferase activity, transferring phosphorus-containing groups

Biological Process

• GO:0016310 phosphorylation

External links

• PDB: RCSB:2xz7, PDBe:2xz7, PDBj:2xz7
• PDBsum: 2xz7
• PubMed: 21250658
• UniProt: Q8R7R4