5FLS
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
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 |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN A 262 |
Chain | Residue |
A | HIS94 |
A | HIS96 |
A | HIS119 |
A | HOH2122 |
site_id | AC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE DMS A 1262 |
Chain | Residue |
A | TYR7 |
A | ASP243 |
A | TRP245 |
A | HOH2010 |
site_id | AC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE 6ZX A 1263 |
Chain | Residue |
A | LEU198 |
A | THR199 |
A | THR200 |
A | PRO202 |
A | HOH2120 |
A | HOH2122 |
A | HIS94 |
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 | 1 |
Details | ACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:15667203, ECO:0000305|PubMed:17330962 |
Chain | Residue | Details |
A | HIS64 |
Chain | Residue | Details |
A | HIS94 |
Chain | Residue | Details |
A | HIS96 | |
A | HIS119 |
site_id | SWS_FT_FI4 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10550681, ECO:0000269|PubMed:19520834 |
Chain | Residue | Details |
A | THR199 |
site_id | SWS_FT_FI5 |
Number of Residues | 1 |
Details | SITE: Fine-tunes the proton-transfer properties of H-64 => ECO:0000305|PubMed:17330962 |
Chain | Residue | Details |
A | TYR7 |
site_id | SWS_FT_FI6 |
Number of Residues | 2 |
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 |
site_id | SWS_FT_FI7 |
Number of Residues | 1 |
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 |
site_id | SWS_FT_FI8 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P27139 |
Chain | Residue | Details |
A | SER2 |
site_id | SWS_FT_FI9 |
Number of Residues | 2 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | SER166 | |
A | 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 |