Structure of PDB 6t26 Chain A Binding Site BS06

Receptor Information

>6t26 Chain A (length=502) Species: 169049 (Vibrio sp. G15-21)

AEIKNVILMIGDGMGPQQVGLLETYANQAPNSIYKGNKTAIYQLAQEGVI
GSSLTHPEDAIVVDSACSATMLATGIYSSSEVIGIDSQGNHVETVLEKAK
KAGKATGLVSDTRLTHATPASFAAHQPHRSLENQIASDMLATGADVMLSG
GLRHWIPKSTNDKGETYKQLEKLTQGDVYLKSKRKDDRNLLTEAEKDGYQ
LAFNRNMLDDAKGDKLLGLFAYSGMDDGIAYSNKKKSGERTQPSLKEMTQ
KALNILSKDEDGFFLMVEGGQIDWAGHSNDAGTMLHELLKFDEAIQTVYE
WAKDREDTIVIVTADHETGSFGFSYSSNDLPKPQKRSGEAFADRDYAPNF
NFGAFDILDGLYNQKQSYYGMISEFQKLDKSLQTPEKLAEIVNKNSEFPI
TAEQAKNVLASKPNPYRLAQHKYLSAEEVPAINDFDAFFPYNDRGNLLAR
EQATGQNIVWGTGTHTHTPVNVFAWGPAEKILPVSKIMHHSELGEYIKQQ
VN

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6t26 Chain A Residue 611

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6t26 X-ray crystal structure of Vibrio alkaline phosphatase with the non-competitive inhibitor cyclohexylamine.
• Resolution: 2.265 Å
• Binding residue (original residue number in PDB): A45 Q46 G48
• Binding residue (residue number reindexed from 1): A45 Q46 G48
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D12 S65 H116 T118 R129 E268 D273 W274 H277 D315 H316 H465
• Catalytic site (residue number reindexed from 1): D12 S65 H116 T118 R129 E268 D273 W274 H277 D315 H316 H465

Gene Ontology

Molecular Function

• GO:0004035 alkaline phosphatase activity
• GO:0016791 phosphatase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016311 dephosphorylation

External links

• PDB: RCSB:6t26, PDBe:6t26, PDBj:6t26
• PDBsum: 6t26
• PubMed: 33102813
• UniProt: Q93P54