Structure of PDB 7oex Chain A Binding Site BS01

Receptor Information

>7oex Chain A (length=192) Species: 9606 (Homo sapiens)

ASPSKAVIVPGNGGGDVTTHGWYGWVKKELEKIPGFQCLAKNMPDPITAR
ESIWLPFMETELHCDEKTIIIGHSSGAIAAMRYAETHRVYAIVLVSAYTS
DLGDENERASGYFTRPWQWEKIKANCPYIVQFGSTDDPFLPWKEQQEVAD
RLETKLHKFTDCGHFQNTEFHELITVVKSLLKVPALEHHHHH

Ligand information

• Ligand ID: PHE
• InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
• InChIKey: COLNVLDHVKWLRT-QMMMGPOBSA-N
• SMILES:
  CACTVS 3.341: N[CH](Cc1ccccc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccccc1)C(O)=O
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)CC(C(=O)O)N
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)C[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)Cc1ccccc1
• Formula: C9 H11 N O2
• Name: PHENYLALANINE
• ChEMBL: CHEMBL301523
• DrugBank: DB00120
• ZINC: ZINC000000105196
• PDB chain: 7oex Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7oex Mechanism-based traps enable protease and hydrolase substrate discovery.
• Resolution: 1.51 Å
• Binding residue (original residue number in PDB): G12 N13 S75 S76 Y99 E108 F140
• Binding residue (residue number reindexed from 1): G11 N12 S74 S75 Y98 E107 F139
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.-.-.-

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0016787 hydrolase activity

Biological Process

• GO:0009624 response to nematode
• GO:0010628 positive regulation of gene expression
• GO:0060510 type II pneumocyte differentiation

Cellular Component

• GO:0005654 nucleoplasm

External links

• PDB: RCSB:7oex, PDBe:7oex, PDBj:7oex
• PDBsum: 7oex
• PubMed: 35173328
• UniProt: O75884|RBBP9_HUMAN Serine hydrolase RBBP9 (Gene Name=RBBP9)