4QIY
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0002009 | biological_process | morphogenesis of an epithelium |
A | 0004064 | molecular_function | arylesterase activity |
A | 0004089 | molecular_function | carbonate dehydratase activity |
A | 0005515 | molecular_function | protein binding |
A | 0005737 | cellular_component | cytoplasm |
A | 0005829 | cellular_component | cytosol |
A | 0005886 | cellular_component | plasma membrane |
A | 0006730 | biological_process | one-carbon metabolic process |
A | 0008270 | molecular_function | zinc ion binding |
A | 0015670 | biological_process | carbon dioxide transport |
A | 0016829 | molecular_function | lyase activity |
A | 0018820 | molecular_function | cyanamide hydratase activity |
A | 0032230 | biological_process | positive regulation of synaptic transmission, GABAergic |
A | 0032849 | biological_process | positive regulation of cellular pH reduction |
A | 0038166 | biological_process | angiotensin-activated signaling pathway |
A | 0043209 | cellular_component | myelin sheath |
A | 0044070 | biological_process | regulation of monoatomic anion transport |
A | 0045177 | cellular_component | apical part of cell |
A | 0046872 | molecular_function | metal ion binding |
A | 0046903 | biological_process | secretion |
A | 0051453 | biological_process | regulation of intracellular pH |
A | 0070050 | biological_process | neuron cellular homeostasis |
A | 0070062 | cellular_component | extracellular exosome |
A | 2001150 | biological_process | positive regulation of dipeptide transmembrane transport |
A | 2001225 | biological_process | regulation of chloride transport |
B | 0002009 | biological_process | morphogenesis of an epithelium |
B | 0004064 | molecular_function | arylesterase activity |
B | 0004089 | molecular_function | carbonate dehydratase activity |
B | 0005515 | molecular_function | protein binding |
B | 0005737 | cellular_component | cytoplasm |
B | 0005829 | cellular_component | cytosol |
B | 0005886 | cellular_component | plasma membrane |
B | 0006730 | biological_process | one-carbon metabolic process |
B | 0008270 | molecular_function | zinc ion binding |
B | 0015670 | biological_process | carbon dioxide transport |
B | 0016829 | molecular_function | lyase activity |
B | 0018820 | molecular_function | cyanamide hydratase activity |
B | 0032230 | biological_process | positive regulation of synaptic transmission, GABAergic |
B | 0032849 | biological_process | positive regulation of cellular pH reduction |
B | 0038166 | biological_process | angiotensin-activated signaling pathway |
B | 0043209 | cellular_component | myelin sheath |
B | 0044070 | biological_process | regulation of monoatomic anion transport |
B | 0045177 | cellular_component | apical part of cell |
B | 0046872 | molecular_function | metal ion binding |
B | 0046903 | biological_process | secretion |
B | 0051453 | biological_process | regulation of intracellular pH |
B | 0070050 | biological_process | neuron cellular homeostasis |
B | 0070062 | cellular_component | extracellular exosome |
B | 2001150 | biological_process | positive regulation of dipeptide transmembrane transport |
B | 2001225 | biological_process | regulation of chloride transport |
C | 0002009 | biological_process | morphogenesis of an epithelium |
C | 0004064 | molecular_function | arylesterase activity |
C | 0004089 | molecular_function | carbonate dehydratase activity |
C | 0005515 | molecular_function | protein binding |
C | 0005737 | cellular_component | cytoplasm |
C | 0005829 | cellular_component | cytosol |
C | 0005886 | cellular_component | plasma membrane |
C | 0006730 | biological_process | one-carbon metabolic process |
C | 0008270 | molecular_function | zinc ion binding |
C | 0015670 | biological_process | carbon dioxide transport |
C | 0016829 | molecular_function | lyase activity |
C | 0018820 | molecular_function | cyanamide hydratase activity |
C | 0032230 | biological_process | positive regulation of synaptic transmission, GABAergic |
C | 0032849 | biological_process | positive regulation of cellular pH reduction |
C | 0038166 | biological_process | angiotensin-activated signaling pathway |
C | 0043209 | cellular_component | myelin sheath |
C | 0044070 | biological_process | regulation of monoatomic anion transport |
C | 0045177 | cellular_component | apical part of cell |
C | 0046872 | molecular_function | metal ion binding |
C | 0046903 | biological_process | secretion |
C | 0051453 | biological_process | regulation of intracellular pH |
C | 0070050 | biological_process | neuron cellular homeostasis |
C | 0070062 | cellular_component | extracellular exosome |
C | 2001150 | biological_process | positive regulation of dipeptide transmembrane transport |
C | 2001225 | biological_process | regulation of chloride transport |
D | 0002009 | biological_process | morphogenesis of an epithelium |
D | 0004064 | molecular_function | arylesterase activity |
D | 0004089 | molecular_function | carbonate dehydratase activity |
D | 0005515 | molecular_function | protein binding |
D | 0005737 | cellular_component | cytoplasm |
D | 0005829 | cellular_component | cytosol |
D | 0005886 | cellular_component | plasma membrane |
D | 0006730 | biological_process | one-carbon metabolic process |
D | 0008270 | molecular_function | zinc ion binding |
D | 0015670 | biological_process | carbon dioxide transport |
D | 0016829 | molecular_function | lyase activity |
D | 0018820 | molecular_function | cyanamide hydratase activity |
D | 0032230 | biological_process | positive regulation of synaptic transmission, GABAergic |
D | 0032849 | biological_process | positive regulation of cellular pH reduction |
D | 0038166 | biological_process | angiotensin-activated signaling pathway |
D | 0043209 | cellular_component | myelin sheath |
D | 0044070 | biological_process | regulation of monoatomic anion transport |
D | 0045177 | cellular_component | apical part of cell |
D | 0046872 | molecular_function | metal ion binding |
D | 0046903 | biological_process | secretion |
D | 0051453 | biological_process | regulation of intracellular pH |
D | 0070050 | biological_process | neuron cellular homeostasis |
D | 0070062 | cellular_component | extracellular exosome |
D | 2001150 | biological_process | positive regulation of dipeptide transmembrane transport |
D | 2001225 | biological_process | regulation of chloride transport |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN A 301 |
Chain | Residue |
A | HIS94 |
A | HIS96 |
A | HIS119 |
A | WWX302 |
site_id | AC2 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE WWX A 302 |
Chain | Residue |
A | HIS119 |
A | PHE131 |
A | LEU198 |
A | THR199 |
A | THR200 |
A | PRO202 |
A | ZN301 |
A | ASN62 |
A | ASN67 |
A | GLN92 |
A | HIS94 |
A | HIS96 |
site_id | AC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS A 303 |
Chain | Residue |
A | TYR7 |
A | ASP243 |
A | TRP245 |
A | PRO247 |
A | HOH616 |
site_id | AC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE BCN A 304 |
Chain | Residue |
A | LYS149 |
A | LYS213 |
A | GLU214 |
A | PRO215 |
A | HOH440 |
A | HOH639 |
site_id | AC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN B 301 |
Chain | Residue |
B | HIS94 |
B | HIS96 |
B | HIS119 |
B | WWX302 |
site_id | AC6 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE WWX B 302 |
Chain | Residue |
B | ASN62 |
B | ASN67 |
B | GLN92 |
B | HIS94 |
B | HIS96 |
B | HIS119 |
B | PHE131 |
B | LEU198 |
B | THR199 |
B | THR200 |
B | PRO202 |
B | ZN301 |
site_id | AC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE DMS B 303 |
Chain | Residue |
B | TYR7 |
B | ASP243 |
B | TRP245 |
B | HOH631 |
site_id | AC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE BCN B 304 |
Chain | Residue |
B | LYS149 |
B | LYS213 |
B | GLU214 |
B | PRO215 |
B | HOH440 |
B | HOH461 |
site_id | AC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN C 301 |
Chain | Residue |
C | HIS94 |
C | HIS96 |
C | HIS119 |
C | WWX302 |
site_id | BC1 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE WWX C 302 |
Chain | Residue |
C | ASN62 |
C | ASN67 |
C | GLN92 |
C | HIS94 |
C | HIS96 |
C | HIS119 |
C | LEU198 |
C | THR199 |
C | THR200 |
C | PRO202 |
C | ZN301 |
site_id | BC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE DMS C 303 |
Chain | Residue |
C | ASP243 |
C | TRP245 |
C | HOH639 |
site_id | BC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE BCN C 304 |
Chain | Residue |
C | LYS149 |
C | LYS213 |
C | GLU214 |
C | PRO215 |
C | HOH440 |
C | HOH587 |
C | HOH640 |
site_id | BC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN D 301 |
Chain | Residue |
D | HIS94 |
D | HIS96 |
D | HIS119 |
D | WWX302 |
site_id | BC5 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE WWX D 302 |
Chain | Residue |
D | ASN62 |
D | ASN67 |
D | GLN92 |
D | HIS94 |
D | HIS96 |
D | HIS119 |
D | LEU141 |
D | LEU198 |
D | THR199 |
D | THR200 |
D | PRO202 |
D | ZN301 |
site_id | BC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE DMS D 303 |
Chain | Residue |
D | TYR7 |
D | ASP243 |
D | TRP245 |
D | HOH637 |
site_id | BC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE BCN D 304 |
Chain | Residue |
D | LYS213 |
D | GLU214 |
D | PRO215 |
D | HOH440 |
D | HOH613 |
D | LYS149 |
Functional Information from PROSITE/UniProt
site_id | PS00162 |
Number of Residues | 17 |
Details | ALPHA_CA_1 Alpha-carbonic anhydrases signature. SEHtVdkkkYaaELHLV |
Chain | Residue | Details |
A | SER105-VAL121 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | ACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:15667203, ECO:0000305|PubMed:17330962 |
Chain | Residue | Details |
A | HIS64 | |
B | HIS64 | |
C | HIS64 | |
D | HIS64 |
Chain | Residue | Details |
A | HIS94 | |
B | HIS94 | |
C | HIS94 | |
D | HIS94 |
Chain | Residue | Details |
A | HIS96 | |
A | HIS119 | |
B | HIS96 | |
B | HIS119 | |
C | HIS96 | |
C | HIS119 | |
D | HIS96 | |
D | HIS119 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10550681, ECO:0000269|PubMed:19520834 |
Chain | Residue | Details |
A | THR199 | |
B | THR199 | |
C | THR199 | |
D | THR199 |
site_id | SWS_FT_FI5 |
Number of Residues | 4 |
Details | SITE: Fine-tunes the proton-transfer properties of H-64 => ECO:0000305|PubMed:17330962 |
Chain | Residue | Details |
A | TYR7 | |
B | TYR7 | |
C | TYR7 | |
D | TYR7 |
site_id | SWS_FT_FI6 |
Number of Residues | 8 |
Details | SITE: Fine-tunes the proton-transfer properties of H-64; involved in the binding of some activators, including histamine and L-histidine => ECO:0000269|PubMed:16214338, ECO:0000269|PubMed:9265618, ECO:0000305|PubMed:17330962 |
Chain | Residue | Details |
A | ASN62 | |
A | ASN67 | |
B | ASN62 | |
B | ASN67 | |
C | ASN62 | |
C | ASN67 | |
D | ASN62 | |
D | ASN67 |
site_id | SWS_FT_FI7 |
Number of Residues | 4 |
Details | SITE: Involved in the binding of some activators, including histamine and L-histidine => ECO:0000269|PubMed:16214338, ECO:0000269|PubMed:9265618, ECO:0000305|PubMed:17330962 |
Chain | Residue | Details |
A | GLN92 | |
B | GLN92 | |
C | GLN92 | |
D | GLN92 |
site_id | SWS_FT_FI8 |
Number of Residues | 4 |
Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P27139 |
Chain | Residue | Details |
A | SER2 | |
B | SER2 | |
C | SER2 | |
D | SER2 |
site_id | SWS_FT_FI9 |
Number of Residues | 8 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | SER166 | |
A | SER173 | |
B | SER166 | |
B | SER173 | |
C | SER166 | |
C | SER173 | |
D | SER166 | |
D | SER173 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 6 |
Details | M-CSA 216 |
Chain | Residue | Details |
A | HIS64 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
A | HIS94 | metal ligand |
A | HIS96 | metal ligand |
A | GLU106 | activator, electrostatic stabiliser, hydrogen bond acceptor |
A | HIS119 | metal ligand |
A | THR199 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity |
site_id | MCSA2 |
Number of Residues | 6 |
Details | M-CSA 216 |
Chain | Residue | Details |
B | HIS64 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
B | HIS94 | metal ligand |
B | HIS96 | metal ligand |
B | GLU106 | activator, electrostatic stabiliser, hydrogen bond acceptor |
B | HIS119 | metal ligand |
B | THR199 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity |
site_id | MCSA3 |
Number of Residues | 6 |
Details | M-CSA 216 |
Chain | Residue | Details |
C | HIS64 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
C | HIS94 | metal ligand |
C | HIS96 | metal ligand |
C | GLU106 | activator, electrostatic stabiliser, hydrogen bond acceptor |
C | HIS119 | metal ligand |
C | THR199 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity |
site_id | MCSA4 |
Number of Residues | 6 |
Details | M-CSA 216 |
Chain | Residue | Details |
D | HIS64 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
D | HIS94 | metal ligand |
D | HIS96 | metal ligand |
D | GLU106 | activator, electrostatic stabiliser, hydrogen bond acceptor |
D | HIS119 | metal ligand |
D | THR199 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity |