2ADA
ATOMIC STRUCTURE OF ADENOSINE DEAMINASE COMPLEXED WITH A TRANSITION-STATE ANALOG: UNDERSTANDING CATALYSIS AND IMMUNODEFICIENCY MUTATIONS
Replaces: 1ADAFunctional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001666 | biological_process | response to hypoxia |
| A | 0001701 | biological_process | in utero embryonic development |
| A | 0001821 | biological_process | histamine secretion |
| A | 0001829 | biological_process | trophectodermal cell differentiation |
| A | 0001883 | molecular_function | purine nucleoside binding |
| A | 0001889 | biological_process | liver development |
| A | 0001890 | biological_process | placenta development |
| A | 0002314 | biological_process | germinal center B cell differentiation |
| A | 0002636 | biological_process | positive regulation of germinal center formation |
| A | 0002686 | biological_process | negative regulation of leukocyte migration |
| A | 0002906 | biological_process | negative regulation of mature B cell apoptotic process |
| A | 0004000 | molecular_function | adenosine deaminase activity |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005764 | cellular_component | lysosome |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006154 | biological_process | adenosine catabolic process |
| A | 0006157 | biological_process | deoxyadenosine catabolic process |
| A | 0006196 | biological_process | AMP catabolic process |
| A | 0007155 | biological_process | cell adhesion |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0009117 | biological_process | nucleotide metabolic process |
| A | 0009168 | biological_process | purine ribonucleoside monophosphate biosynthetic process |
| A | 0009897 | cellular_component | external side of plasma membrane |
| A | 0009986 | cellular_component | cell surface |
| A | 0010460 | biological_process | positive regulation of heart rate |
| A | 0014074 | biological_process | response to purine-containing compound |
| A | 0016020 | cellular_component | membrane |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0019239 | molecular_function | deaminase activity |
| A | 0030324 | biological_process | lung development |
| A | 0030890 | biological_process | positive regulation of B cell proliferation |
| A | 0031410 | cellular_component | cytoplasmic vesicle |
| A | 0032261 | biological_process | purine nucleotide salvage |
| A | 0032264 | biological_process | IMP salvage |
| A | 0032839 | cellular_component | dendrite cytoplasm |
| A | 0033081 | biological_process | regulation of T cell differentiation in thymus |
| A | 0033089 | biological_process | positive regulation of T cell differentiation in thymus |
| A | 0033197 | biological_process | response to vitamin E |
| A | 0033632 | biological_process | regulation of cell-cell adhesion mediated by integrin |
| A | 0042110 | biological_process | T cell activation |
| A | 0042323 | biological_process | negative regulation of circadian sleep/wake cycle, non-REM sleep |
| A | 0043025 | cellular_component | neuronal cell body |
| A | 0043066 | biological_process | negative regulation of apoptotic process |
| A | 0043103 | biological_process | hypoxanthine salvage |
| A | 0045187 | biological_process | regulation of circadian sleep/wake cycle, sleep |
| A | 0045580 | biological_process | regulation of T cell differentiation |
| A | 0045582 | biological_process | positive regulation of T cell differentiation |
| A | 0045987 | biological_process | positive regulation of smooth muscle contraction |
| A | 0046059 | biological_process | dAMP catabolic process |
| A | 0046061 | biological_process | dATP catabolic process |
| A | 0046085 | biological_process | adenosine metabolic process |
| A | 0046101 | biological_process | hypoxanthine biosynthetic process |
| A | 0046103 | biological_process | inosine biosynthetic process |
| A | 0046111 | biological_process | xanthine biosynthetic process |
| A | 0046638 | biological_process | positive regulation of alpha-beta T cell differentiation |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0046936 | molecular_function | 2'-deoxyadenosine deaminase activity |
| A | 0048286 | biological_process | lung alveolus development |
| A | 0048541 | biological_process | Peyer's patch development |
| A | 0048566 | biological_process | embryonic digestive tract development |
| A | 0050728 | biological_process | negative regulation of inflammatory response |
| A | 0050850 | biological_process | positive regulation of calcium-mediated signaling |
| A | 0050862 | biological_process | positive regulation of T cell receptor signaling pathway |
| A | 0050870 | biological_process | positive regulation of T cell activation |
| A | 0060169 | biological_process | negative regulation of adenosine receptor signaling pathway |
| A | 0060205 | cellular_component | cytoplasmic vesicle lumen |
| A | 0060407 | biological_process | negative regulation of penile erection |
| A | 0070161 | cellular_component | anchoring junction |
| A | 0070244 | biological_process | negative regulation of thymocyte apoptotic process |
| A | 0070256 | biological_process | negative regulation of mucus secretion |
| A | 0140928 | biological_process | inhibition of non-skeletal tissue mineralization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN A 400 |
| Chain | Residue |
| A | HIS15 |
| A | HIS17 |
| A | HIS214 |
| A | ASP295 |
| A | HPR353 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE HPR A 353 |
| Chain | Residue |
| A | LEU106 |
| A | MET155 |
| A | ALA183 |
| A | GLY184 |
| A | HIS214 |
| A | GLU217 |
| A | HIS238 |
| A | ASP295 |
| A | ASP296 |
| A | ZN400 |
| A | HOH437 |
| A | HIS17 |
| A | ASP19 |
| A | PHE61 |
| A | LEU62 |
Functional Information from PROSITE/UniProt
| site_id | PS00485 |
| Number of Residues | 7 |
| Details | A_DEAMINASE Adenosine and AMP deaminase signature. SLNTDDP |
| Chain | Residue | Details |
| A | SER291-PRO297 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"8634299","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"9622483","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"1925539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8672487","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8942668","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9622483","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A4L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1A4M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FKW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FKX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UIO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UIP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ADA","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"1925539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8672487","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8942668","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9622483","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A4L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1A4M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FKW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FKX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"1925539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8672487","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8942668","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9622483","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A4M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FKX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UIO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UIP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ADA","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"8672487","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8942668","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1FKW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UIP","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Site: {"description":"Important for interaction with adenosine receptors and increasing their affinity for agonists","evidences":[{"source":"UniProtKB","id":"P00813","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | Site: {"description":"Important for catalytic activity","evidences":[{"source":"PubMed","id":"8942668","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9622483","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P00813","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a4l |
| Chain | Residue | Details |
| A | HIS238 | |
| A | TYR240 | |
| A | GLU217 | |
| A | ASP295 |
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 376 |
| Chain | Residue | Details |
| A | HIS15 | metal ligand |
| A | HIS17 | metal ligand |
| A | HIS214 | metal ligand |
| A | GLU217 | proton shuttle (general acid/base) |
| A | HIS238 | proton shuttle (general acid/base) |
| A | ASP295 | metal ligand, steric role |
