6NJ6
Thermostable variant of human carbonic anhydrase with tetrazine 2.0 at site 186 reacted with sTCO in crystallo
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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | ALA37 |
| A | LYS38 |
| A | TYR39 |
| A | HIS261 |
| A | HOH426 |
| A | HOH546 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 303 |
| Chain | Residue |
| A | HOH502 |
| A | HOH589 |
| A | HOH615 |
| A | ASN66 |
| A | GLU68 |
| A | GLN91 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 304 |
| Chain | Residue |
| A | PRO45 |
| A | LEU46 |
| A | LEU188 |
| A | ASP189 |
| A | SER258 |
| A | HOH410 |
| A | HOH430 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 305 |
| Chain | Residue |
| A | TRP4 |
| A | PHE19 |
| A | PRO201 |
| A | HOH413 |
| A | HOH557 |
| A | HOH733 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue ZN A 306 |
| Chain | Residue |
| A | HIS93 |
| A | HIS95 |
| A | HIS118 |
| A | SO4307 |
| A | HOH407 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | binding site for residue SO4 A 307 |
| Chain | Residue |
| A | HIS93 |
| A | HIS95 |
| A | HIS118 |
| A | LEU197 |
| A | THR198 |
| A | ZN306 |
| A | HOH401 |
| A | HOH407 |
| A | HOH414 |
| A | HOH595 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 302 |
| Chain | Residue |
| A | LYS171 |
| A | HOH423 |
| B | GLY170 |
| B | LYS171 |
| B | SER172 |
| B | HOH431 |
| B | HOH492 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 303 |
| Chain | Residue |
| B | LYS38 |
| B | TYR39 |
| B | HIS261 |
| B | HOH401 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 304 |
| Chain | Residue |
| B | ASN66 |
| B | GLU68 |
| B | GLN91 |
| B | PHE130 |
| B | GOL305 |
| B | HOH408 |
| B | HOH420 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 305 |
| Chain | Residue |
| B | ASN61 |
| B | ASN66 |
| B | GLN91 |
| B | GOL304 |
| B | HOH420 |
| B | HOH489 |
| B | HOH515 |
| B | HOH604 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue ZN B 306 |
| Chain | Residue |
| B | HIS93 |
| B | HIS95 |
| B | HIS118 |
| B | SO4307 |
| B | HOH446 |
| site_id | AD3 |
| Number of Residues | 12 |
| Details | binding site for residue SO4 B 307 |
| Chain | Residue |
| B | HIS93 |
| B | HIS95 |
| B | HIS118 |
| B | LEU197 |
| B | THR198 |
| B | THR199 |
| B | ZN306 |
| B | HOH402 |
| B | HOH446 |
| B | HOH489 |
| B | HOH543 |
| B | HOH607 |
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 | SER104-VAL120 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:15667203, ECO:0000305|PubMed:17330962 |
| Chain | Residue | Details |
| A | HIS63 | |
| B | HIS63 |
| Chain | Residue | Details |
| A | HIS93 | |
| B | HIS93 |
| Chain | Residue | Details |
| A | HIS95 | |
| A | HIS118 | |
| B | HIS95 | |
| B | HIS118 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10550681, ECO:0000269|PubMed:19520834 |
| Chain | Residue | Details |
| A | THR198 | |
| B | THR198 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | SITE: Fine-tunes the proton-transfer properties of H-64 => ECO:0000305|PubMed:17330962 |
| Chain | Residue | Details |
| A | TYR6 | |
| B | TYR6 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| 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 | ASN61 | |
| A | ASN66 | |
| B | ASN61 | |
| B | ASN66 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| 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 | GLN91 | |
| B | GLN91 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | SER165 | |
| A | SER172 | |
| B | SER165 | |
| B | SER172 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 216 |
| Chain | Residue | Details |
| A | HIS63 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | HIS93 | metal ligand |
| A | HIS95 | metal ligand |
| A | GLU105 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| A | HIS118 | metal ligand |
| A | THR198 | 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 | HIS63 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | HIS93 | metal ligand |
| B | HIS95 | metal ligand |
| B | GLU105 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| B | HIS118 | metal ligand |
| B | THR198 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity |
