Structure of PDB 7rnz Chain A Binding Site BS02
Receptor Information
>7rnz Chain A (length=257) Species:
9606
(Homo sapiens) [
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HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQ
ATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQ
GSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAK
PGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLL
ECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNR
QIKASFK
Ligand information
Ligand ID
64W
InChI
InChI=1S/C8H11N3O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,9,13,14)(H2,10,11,12)
InChIKey
CNNRTLYSXSQFBO-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
CNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7
CNC(=O)Nc1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01
O=S(N)(=O)c1ccc(NC(=O)NC)cc1
Formula
C8 H11 N3 O3 S
Name
4-[(methylcarbamoyl)amino]benzene-1-sulfonamide
ChEMBL
CHEMBL1567770
DrugBank
ZINC
ZINC000000398332
PDB chain
7rnz Chain A Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
7rnz
One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
Resolution
1.3 Å
Binding residue
(original residue number in PDB)
H94 H119 L198 T199 T200
Binding residue
(residue number reindexed from 1)
H91 H116 L194 T195 T196
Annotation score
1
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
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:7rnz
,
PDBe:7rnz
,
PDBj:7rnz
PDBsum
7rnz
PubMed
34958217
UniProt
P00918
|CAH2_HUMAN Carbonic anhydrase 2 (Gene Name=CA2)
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