3NZC
Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-carboxy(alkyloxy)pyrido[2,3-d]pyridine Derivativea
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| X | 0004146 | molecular_function | dihydrofolate reductase activity |
| X | 0005739 | cellular_component | mitochondrion |
| X | 0006730 | biological_process | one-carbon metabolic process |
| X | 0016491 | molecular_function | oxidoreductase activity |
| X | 0046452 | biological_process | dihydrofolate metabolic process |
| X | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| X | 0046655 | biological_process | folic acid metabolic process |
| X | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE D2O X 207 |
| Chain | Residue |
| X | ILE10 |
| X | PHE69 |
| X | ILE123 |
| X | TYR129 |
| X | GOL210 |
| X | HOH249 |
| X | VAL11 |
| X | ALA12 |
| X | LEU25 |
| X | GLU32 |
| X | ILE33 |
| X | PHE36 |
| X | SER64 |
| X | PRO66 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 X 208 |
| Chain | Residue |
| X | GLY58 |
| X | LYS60 |
| X | THR61 |
| X | GLY124 |
| X | GLY125 |
| X | ALA126 |
| X | GLN127 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL X 209 |
| Chain | Residue |
| X | ARG107 |
| X | SER166 |
| X | TRP169 |
| X | LYS170 |
| X | LYS171 |
| X | HOH227 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL X 210 |
| Chain | Residue |
| X | ALA12 |
| X | ILE19 |
| X | LEU25 |
| X | ILE123 |
| X | TYR129 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGrsnsLPWklkk.EisyFkrvT |
| Chain | Residue | Details |
| X | GLY18-THR40 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 198 |
| Details | Domain: {"description":"DHFR","evidences":[{"source":"PROSITE-ProRule","id":"PRU00660","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10194348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10736154","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12037296","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12198294","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17019704","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10194348","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
