1P75
Crystal structure of EHV4-TK complexed with TP5A
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004797 | molecular_function | thymidine kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006230 | biological_process | TMP biosynthetic process |
| A | 0009157 | biological_process | deoxyribonucleoside monophosphate biosynthetic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0071897 | biological_process | DNA biosynthetic process |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004797 | molecular_function | thymidine kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006230 | biological_process | TMP biosynthetic process |
| B | 0009157 | biological_process | deoxyribonucleoside monophosphate biosynthetic process |
| B | 0016301 | molecular_function | kinase activity |
| B | 0016740 | molecular_function | transferase activity |
| B | 0071897 | biological_process | DNA biosynthetic process |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004797 | molecular_function | thymidine kinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0006230 | biological_process | TMP biosynthetic process |
| C | 0009157 | biological_process | deoxyribonucleoside monophosphate biosynthetic process |
| C | 0016301 | molecular_function | kinase activity |
| C | 0016740 | molecular_function | transferase activity |
| C | 0071897 | biological_process | DNA biosynthetic process |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004797 | molecular_function | thymidine kinase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0006230 | biological_process | TMP biosynthetic process |
| D | 0009157 | biological_process | deoxyribonucleoside monophosphate biosynthetic process |
| D | 0016301 | molecular_function | kinase activity |
| D | 0016740 | molecular_function | transferase activity |
| D | 0071897 | biological_process | DNA biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 701 |
| Chain | Residue |
| A | ARG127 |
| A | LEU330 |
| B | GLN202 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 702 |
| Chain | Residue |
| A | ARG172 |
| A | PRO174 |
| A | GLN175 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 703 |
| Chain | Residue |
| A | ARG258 |
| A | VAL259 |
| A | SER260 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 704 |
| Chain | Residue |
| A | ARG232 |
| A | GLY234 |
| A | TRP235 |
| A | GLY236 |
| A | GLU237 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 705 |
| Chain | Residue |
| B | ARG172 |
| B | PRO174 |
| B | GLN175 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 706 |
| Chain | Residue |
| A | SER159 |
| B | PHE69 |
| B | GLU70 |
| B | THR71 |
| B | ARG104 |
| B | HOH731 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B 707 |
| Chain | Residue |
| A | HIS247 |
| A | GLN251 |
| B | SER124 |
| B | GLN175 |
| B | GLY176 |
| B | ARG226 |
| B | SER327 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 708 |
| Chain | Residue |
| A | PHE69 |
| A | GLU70 |
| A | THR71 |
| A | ARG104 |
| A | HOH726 |
| A | HOH740 |
| B | SER159 |
| B | CYS161 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 709 |
| Chain | Residue |
| B | THR311 |
| B | ARG313 |
| B | GLN314 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 710 |
| Chain | Residue |
| B | ARG313 |
| B | GLN314 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 711 |
| Chain | Residue |
| B | GLY234 |
| B | TRP235 |
| B | GLY236 |
| B | GLU237 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 712 |
| Chain | Residue |
| B | ARG258 |
| B | VAL259 |
| B | SER260 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 D 713 |
| Chain | Residue |
| C | SER159 |
| C | CYS161 |
| D | GLU70 |
| D | THR71 |
| D | ARG104 |
| D | HOH735 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 C 715 |
| Chain | Residue |
| C | PHE69 |
| C | GLU70 |
| C | THR71 |
| C | ARG104 |
| D | SER159 |
| D | CYS161 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 716 |
| Chain | Residue |
| D | ARG258 |
| D | VAL259 |
| D | SER260 |
| site_id | BC7 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE T5A A 501 |
| Chain | Residue |
| A | TYR34 |
| A | GLY35 |
| A | ILE36 |
| A | GLY37 |
| A | LYS38 |
| A | SER39 |
| A | THR40 |
| A | GLU60 |
| A | MET62 |
| A | TRP65 |
| A | TYR78 |
| A | GLN102 |
| A | PHE105 |
| A | ARG139 |
| A | SER144 |
| A | PHE148 |
| A | ARG152 |
| A | ARG192 |
| A | GLY310 |
| A | THR311 |
| A | PRO312 |
| A | HOH728 |
| D | T5A504 |
| site_id | BC8 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE T5A B 502 |
| Chain | Residue |
| B | ARG139 |
| B | SER144 |
| B | PHE148 |
| B | ARG192 |
| B | ARG196 |
| B | GLY310 |
| B | THR311 |
| B | PRO312 |
| B | CYS315 |
| B | HOH727 |
| B | TYR34 |
| B | GLY35 |
| B | ILE36 |
| B | GLY37 |
| B | LYS38 |
| B | SER39 |
| B | THR40 |
| B | GLU60 |
| B | TRP65 |
| B | GLN102 |
| B | PHE105 |
| site_id | BC9 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE T5A C 503 |
| Chain | Residue |
| C | TYR34 |
| C | GLY35 |
| C | ILE36 |
| C | GLY37 |
| C | LYS38 |
| C | SER39 |
| C | THR40 |
| C | ARG43 |
| C | GLU60 |
| C | MET62 |
| C | TRP65 |
| C | TYR78 |
| C | GLN102 |
| C | PHE105 |
| C | ARG139 |
| C | SER144 |
| C | PHE148 |
| C | ARG192 |
| C | THR195 |
| C | ARG196 |
| C | GLY310 |
| C | THR311 |
| C | PRO312 |
| site_id | CC1 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE T5A D 504 |
| Chain | Residue |
| A | THR195 |
| A | T5A501 |
| D | TYR34 |
| D | GLY35 |
| D | ILE36 |
| D | GLY37 |
| D | LYS38 |
| D | SER39 |
| D | THR40 |
| D | GLU60 |
| D | MET62 |
| D | TRP65 |
| D | TYR78 |
| D | GLN102 |
| D | PHE105 |
| D | ARG139 |
| D | SER144 |
| D | PHE148 |
| D | ARG152 |
| D | ARG192 |
| D | GLY310 |
| D | THR311 |
| D | PRO312 |
| D | CYS315 |
| D | HOH736 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_04029","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 40 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_04029","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"14527394","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1P72","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"14527394","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1P72","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_04029","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1kim |
| Chain | Residue | Details |
| A | GLY35 | |
| A | ARG198 | |
| A | GLU60 | |
| A | ARG139 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1kim |
| Chain | Residue | Details |
| B | GLY35 | |
| B | ARG198 | |
| B | GLU60 | |
| B | ARG139 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1kim |
| Chain | Residue | Details |
| C | GLY35 | |
| C | GLU60 | |
| C | ARG139 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1kim |
| Chain | Residue | Details |
| D | GLY35 | |
| D | GLU60 | |
| D | ARG139 |
