Structure of PDB 5xtu Chain A Binding Site BS01

Receptor Information

>5xtu Chain A (length=328) Species: 1109422 (Photobacterium sp. J15(2011))

AEFDRITNFGDSLSDIGNKHMITVDMNQATSGKIGIRADKPNFDGRFSNG
PVWTEYLAGFLAKPAPVRGHGEIDSQVVLKDQAGKQITYHYHHNALPGTN
WAVGGAMSGLGNFLDIDAANGFTAKSGLDVLTNTGQQIKLRIANKGQFTG
NELVSYMSGTNNLWFTLFGDLDQTGNKAAGFALTDIETLIDAGAKQVLAA
NIPDFVDAPWFAGQQKKTTRFIQSHNQALKAGLDQLAAAHPDVEIYYFDA
FDLFNKVSNEVKTKGKYQDKELAITLTNVTGEAYSYATGKVIAQPNRNLF
WDGLHPTTAMHKIMAKEAASLVISGRTL

Ligand information

• Ligand ID: CAC
• InChI: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
• InChIKey: OGGXGZAMXPVRFZ-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.7.0: C[As](=O)(C)[O-]
  CACTVS 3.370: C[As](C)([O-])=O
  ACDLabs 12.01: [O-][As](=O)(C)C
• Formula: C2 H6 As O2
• Name: CACODYLATE ION;
  dimethylarsinate
• PDB chain: 5xtu Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xtu Crystallization and structure elucidation of GDSL esterase of Photobacterium sp. J15.
• Resolution: 1.38 Å
• Binding residue (original residue number in PDB): G105 W164 F165
• Binding residue (residue number reindexed from 1): G105 W164 F165
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): L229 E244
• Catalytic site (residue number reindexed from 1): L229 E244

Gene Ontology

Molecular Function

• GO:0016788 hydrolase activity, acting on ester bonds

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:5xtu, PDBe:5xtu, PDBj:5xtu
• PDBsum: 5xtu
• PubMed: 30102982
• UniProt: A0A0K0PV22