Structure of PDB 2oua Chain B Binding Site BS01

Receptor Information

>2oua Chain B (length=188) Species: 53437 (Nocardiopsis alba)

ADIIGGLAYTMGGRCSVGFAATNASGQPGFVTAGHCGSVGTQVSIGNGRG
VFERSVFPGNDAAFVRGTSNFTLTNLVSRYNSGGYATVSGSSTAPIGSQV
CRSGSTTGWYCGTIQARNQTVSYPQGTVHSLTRTSVCAEPGDSGGSFISG
TQAQGVTSGGSGNCRTGGTTFYQEVNPMLNSWNLRLRT

Ligand information

• Ligand ID: AES
• InChI: InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
• InChIKey: MGSKVZWGBWPBTF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=S(F)(=O)c1ccc(cc1)CCN
  OpenEye OEToolkits 1.7.6: c1cc(ccc1CCN)S(=O)(=O)F
  CACTVS 3.370: NCCc1ccc(cc1)[S](F)(=O)=O
• Formula: C8 H10 F N O2 S
• Name: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE;
  AEBSF
• ChEMBL: CHEMBL1096339
• DrugBank: DB07347
• ZINC: ZINC000008034834
• PDB chain: 2oua Chain B Residue 9002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2oua Structural and mechanistic exploration of Acid resistance: kinetic stability facilitates evolution of extremophilic behavior
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): E191 P192 S195 T213 S214 G215 G216
• Binding residue (residue number reindexed from 1): E139 P140 S143 T157 S158 G159 G160
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 G193 S195 S214
• Catalytic site (residue number reindexed from 1): H35 D61 G141 S143 S158

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:2oua, PDBe:2oua, PDBj:2oua
• PDBsum: 2oua
• PubMed: 17382344
• UniProt: Q6K1C5