3WQS
Crystal structure of pfdxr complexed with inhibitor-126
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| B | 0008299 | biological_process | isoprenoid biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019288 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway |
| B | 0020011 | cellular_component | apicoplast |
| B | 0030604 | molecular_function | 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0070402 | molecular_function | NADPH binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NDP B 501 |
| Chain | Residue |
| B | GLY84 |
| B | SER117 |
| B | GLY180 |
| B | ILE181 |
| B | ASP182 |
| B | GLN185 |
| B | ALA203 |
| B | ASN204 |
| B | LYS205 |
| B | GLU206 |
| B | ASP231 |
| B | THR86 |
| B | TRP296 |
| B | MET298 |
| B | GLY299 |
| B | ILE302 |
| B | MET360 |
| B | HOH618 |
| B | HOH650 |
| B | HOH669 |
| B | GLY87 |
| B | SER88 |
| B | ILE89 |
| B | TYR113 |
| B | VAL114 |
| B | ASN115 |
| B | LYS116 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 502 |
| Chain | Residue |
| B | LYS205 |
| B | ASP231 |
| B | GLU233 |
| B | GLU315 |
| B | KBK503 |
| site_id | AC3 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE KBK B 503 |
| Chain | Residue |
| B | LYS205 |
| B | ASP231 |
| B | SER232 |
| B | GLU233 |
| B | SER269 |
| B | SER270 |
| B | LYS295 |
| B | TRP296 |
| B | MET298 |
| B | SER306 |
| B | ASN311 |
| B | LYS312 |
| B | GLU315 |
| B | MG502 |
| B | HOH607 |
| B | HOH623 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22355528, ECO:0007744|PDB:3AU8, ECO:0007744|PDB:3AU9, ECO:0007744|PDB:3AUA |
| Chain | Residue | Details |
| B | THR86 | |
| B | ASN115 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 7 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P45568 |
| Chain | Residue | Details |
| B | LYS205 | |
| B | SER232 | |
| B | SER270 | |
| B | HIS293 | |
| B | SER306 | |
| B | ASN311 | |
| B | LYS312 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22355528, ECO:0007744|PDB:3AU9, ECO:0007744|PDB:3AUA |
| Chain | Residue | Details |
| B | GLU206 | |
| B | GLY299 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22355528, ECO:0007744|PDB:3AU8 |
| Chain | Residue | Details |
| B | ASP231 | |
| B | GLU233 | |
| B | GLU315 |
