Structure of PDB 1cnb Chain A Binding Site BS01
Receptor Information
>1cnb Chain A (length=255) Species:
9606
(Homo sapiens) [
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WGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQA
TSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFCFHWGSLDGQG
SEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKP
GLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLE
CVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQ
IKASF
Ligand information
Ligand ID
BME
InChI
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
InChIKey
DGVVWUTYPXICAM-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(CS)O
ACDLabs 10.04
CACTVS 3.341
OCCS
Formula
C2 H6 O S
Name
BETA-MERCAPTOETHANOL
ChEMBL
CHEMBL254951
DrugBank
DB03345
ZINC
ZINC000008216595
PDB chain
1cnb Chain A Residue 262 [
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Receptor-Ligand Complex Structure
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PDB
1cnb
Structural consequences of redesigning a protein-zinc binding site.
Resolution
2.35 Å
Binding residue
(original residue number in PDB)
Q92 C94
Binding residue
(residue number reindexed from 1)
Q88 C90
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H64 C94 H96 E106 H119 T199
Catalytic site (residue number reindexed from 1)
H60 C90 H92 E102 H115 T194
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:1cnb
,
PDBe:1cnb
,
PDBj:1cnb
PDBsum
1cnb
PubMed
7803386
UniProt
P00918
|CAH2_HUMAN Carbonic anhydrase 2 (Gene Name=CA2)
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