2Q16
Structure of the E. coli inosine triphosphate pyrophosphatase RgdB in complex with ITP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0009117 | biological_process | nucleotide metabolic process |
| A | 0009143 | biological_process | nucleoside triphosphate catabolic process |
| A | 0009146 | biological_process | purine nucleoside triphosphate catabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0017111 | molecular_function | ribonucleoside triphosphate phosphatase activity |
| A | 0035870 | molecular_function | dITP diphosphatase activity |
| A | 0036220 | molecular_function | ITP diphosphatase activity |
| A | 0036222 | molecular_function | XTP diphosphatase activity |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047429 | molecular_function | nucleoside triphosphate diphosphatase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0009117 | biological_process | nucleotide metabolic process |
| B | 0009143 | biological_process | nucleoside triphosphate catabolic process |
| B | 0009146 | biological_process | purine nucleoside triphosphate catabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0017111 | molecular_function | ribonucleoside triphosphate phosphatase activity |
| B | 0035870 | molecular_function | dITP diphosphatase activity |
| B | 0036220 | molecular_function | ITP diphosphatase activity |
| B | 0036222 | molecular_function | XTP diphosphatase activity |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0047429 | molecular_function | nucleoside triphosphate diphosphatase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CA A 200 |
| Chain | Residue |
| A | GLU41 |
| A | ITT6246 |
| A | HOH6450 |
| A | HOH6455 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 201 |
| Chain | Residue |
| A | ASN10 |
| A | ASP95 |
| A | PHE154 |
| A | ITT6246 |
| A | HOH6268 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 202 |
| Chain | Residue |
| A | ILE83 |
| A | SER85 |
| A | ALA86 |
| A | ITT6246 |
| A | HOH6372 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NA A 203 |
| Chain | Residue |
| A | GLU16 |
| A | SER181 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 6245 |
| Chain | Residue |
| A | ARG195 |
| B | ASP75 |
| B | ARG117 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CA B 200 |
| Chain | Residue |
| B | GLU41 |
| B | ITT203 |
| B | HOH347 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA B 201 |
| Chain | Residue |
| B | ASN10 |
| B | ASP95 |
| B | ITT203 |
| B | HOH237 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA B 202 |
| Chain | Residue |
| B | ASP95 |
| B | ASN98 |
| B | TYR156 |
| B | ITT203 |
| B | HOH227 |
| site_id | AC9 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE ITT A 6246 |
| Chain | Residue |
| A | THR8 |
| A | GLY9 |
| A | ASN10 |
| A | LYS13 |
| A | GLU41 |
| A | LYS53 |
| A | ASP68 |
| A | ALA69 |
| A | SER70 |
| A | GLY71 |
| A | SER85 |
| A | ALA86 |
| A | PHE118 |
| A | PHE154 |
| A | GLY155 |
| A | TYR156 |
| A | ASP157 |
| A | LYS177 |
| A | HIS182 |
| A | ARG183 |
| A | CA200 |
| A | NA201 |
| A | NA202 |
| A | HOH6251 |
| A | HOH6268 |
| A | HOH6274 |
| A | HOH6323 |
| A | HOH6328 |
| A | HOH6450 |
| A | HOH6455 |
| site_id | BC1 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE ITT B 203 |
| Chain | Residue |
| B | THR8 |
| B | GLY9 |
| B | ASN10 |
| B | LYS13 |
| B | GLU41 |
| B | LYS53 |
| B | ASP68 |
| B | ALA69 |
| B | SER70 |
| B | GLY71 |
| B | SER85 |
| B | ALA86 |
| B | PHE118 |
| B | PHE154 |
| B | GLY155 |
| B | TYR156 |
| B | ASP157 |
| B | LYS177 |
| B | HIS182 |
| B | ARG183 |
| B | CA200 |
| B | NA201 |
| B | NA202 |
| B | HOH232 |
| B | HOH237 |
| B | HOH264 |
| B | HOH360 |
| B | HOH364 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"17976651","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01405","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17976651","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2Q16","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01405","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17976651","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2Q16","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
