Structure of PDB 8emu Chain A Binding Site BS03

Receptor Information
>8emu Chain A (length=257) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQ
ATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQ
GSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAK
PGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLL
ECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNR
QIKASFK
Ligand information
Ligand IDWMO
InChIInChI=1S/C10H14N2O4S/c1-16-7-6-12-10(13)8-2-4-9(5-3-8)17(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeySZLZBDNEVKHWNT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COCCNC(=O)c1ccc(cc1)S(=O)(=O)N
CACTVS 3.385COCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01O=S(N)(=O)c1ccc(cc1)C(=O)NCCOC
FormulaC10 H14 N2 O4 S
NameN-(2-methoxyethyl)-4-sulfamoylbenzamide
ChEMBL
DrugBank
ZINC
PDB chain8emu Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8emu Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
Resolution1.13 Å
Binding residue
(original residue number in PDB)		N11 H15 W16 D19
Binding residue
(residue number reindexed from 1)		N8 H12 W13 D16
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
4.2.1.69: cyanamide hydratase.
Gene Ontology
Molecular Function
GO:0004064 arylesterase activity
GO:0004089 carbonate dehydratase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0018820 cyanamide hydratase activity
GO:0046872 metal ion binding
Biological Process
GO:0002009 morphogenesis of an epithelium
GO:0006730 one-carbon metabolic process
GO:0015670 carbon dioxide transport
GO:0032230 positive regulation of synaptic transmission, GABAergic
GO:0032849 positive regulation of cellular pH reduction
GO:0038166 angiotensin-activated signaling pathway
GO:0044070 regulation of monoatomic anion transport
GO:0046903 secretion
GO:0051453 regulation of intracellular pH
GO:0070050 neuron cellular homeostasis
GO:2001150 positive regulation of dipeptide transmembrane transport
GO:2001225 regulation of chloride transport
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0043209 myelin sheath
GO:0045177 apical part of cell
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8emu, PDBe:8emu, PDBj:8emu
PDBsum8emu
PubMed36735827
UniProtP00918|CAH2_HUMAN Carbonic anhydrase 2 (Gene Name=CA2)

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