5JNL
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC54 and manganese
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008299 | biological_process | isoprenoid biosynthetic process |
| A | 0030604 | molecular_function | 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070402 | molecular_function | NADPH binding |
| B | 0008299 | biological_process | isoprenoid biosynthetic process |
| 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 | 22 |
| Details | binding site for residue L54 A 501 |
| Chain | Residue |
| A | LYS205 |
| A | SER306 |
| A | ASN311 |
| A | LYS312 |
| A | GLU315 |
| A | HIS341 |
| A | PRO358 |
| A | ASP359 |
| A | MET360 |
| A | MN502 |
| A | HOH604 |
| A | ASP231 |
| A | HOH610 |
| A | HOH621 |
| A | HOH659 |
| A | SER232 |
| A | GLU233 |
| A | SER269 |
| A | SER270 |
| A | GLY271 |
| A | LYS295 |
| A | TRP296 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue MN A 502 |
| Chain | Residue |
| A | LYS205 |
| A | ASP231 |
| A | GLU233 |
| A | GLU315 |
| A | L54501 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 503 |
| Chain | Residue |
| A | SER232 |
| A | GLU233 |
| A | CYS268 |
| A | SER269 |
| A | SER270 |
| A | HIS335 |
| A | CYS338 |
| A | ILE340 |
| A | HIS341 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | binding site for residue GOL A 504 |
| Chain | Residue |
| A | CYS240 |
| A | LEU241 |
| A | ASP242 |
| A | PHE346 |
| A | HOH601 |
| A | HOH603 |
| A | HOH606 |
| A | HOH641 |
| B | GLN239 |
| B | CYS240 |
| B | LEU241 |
| B | ASP242 |
| B | HOH602 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 505 |
| Chain | Residue |
| A | ASN115 |
| A | GLN185 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 506 |
| Chain | Residue |
| A | SER210 |
| A | ALA211 |
| A | GLY212 |
| A | PHE213 |
| A | ASN413 |
| A | PHE414 |
| A | PRO416 |
| A | THR417 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 507 |
| Chain | Residue |
| A | LYS264 |
| A | GLU331 |
| A | HOH605 |
| A | HOH686 |
| B | LEU381 |
| B | ASP382 |
| site_id | AC8 |
| Number of Residues | 22 |
| Details | binding site for residue L54 B 501 |
| Chain | Residue |
| B | LYS205 |
| B | ASP231 |
| B | SER232 |
| B | GLU233 |
| B | SER269 |
| B | SER270 |
| B | GLY271 |
| B | GLY272 |
| B | SER306 |
| B | ASN311 |
| B | LYS312 |
| B | GLU315 |
| B | HIS341 |
| B | PRO358 |
| B | ASP359 |
| B | MET360 |
| B | MN502 |
| B | GOL503 |
| B | EDO506 |
| B | HOH603 |
| B | HOH604 |
| B | HOH648 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue MN B 502 |
| Chain | Residue |
| B | LYS205 |
| B | ASP231 |
| B | GLU233 |
| B | GLU315 |
| B | L54501 |
| site_id | AD1 |
| Number of Residues | 10 |
| Details | binding site for residue GOL B 503 |
| Chain | Residue |
| B | ILE340 |
| B | HIS341 |
| B | L54501 |
| B | SER232 |
| B | GLU233 |
| B | CYS268 |
| B | SER269 |
| B | SER270 |
| B | HIS335 |
| B | CYS338 |
| site_id | AD2 |
| Number of Residues | 11 |
| Details | binding site for residue GOL B 504 |
| Chain | Residue |
| B | LYS223 |
| B | LEU247 |
| B | THR249 |
| B | GLN253 |
| B | ASN284 |
| B | THR286 |
| B | GLU288 |
| B | ASN289 |
| B | HOH633 |
| B | HOH672 |
| B | HOH700 |
| site_id | AD3 |
| Number of Residues | 9 |
| Details | binding site for residue EDO B 505 |
| Chain | Residue |
| B | VAL209 |
| B | SER210 |
| B | ALA211 |
| B | GLY212 |
| B | PHE213 |
| B | ASN413 |
| B | PHE414 |
| B | PRO416 |
| B | THR417 |
| site_id | AD4 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 506 |
| Chain | Residue |
| B | ILE89 |
| B | VAL230 |
| B | ASP231 |
| B | SER232 |
| B | MET360 |
| B | PRO363 |
| B | L54501 |
| B | HOH680 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 507 |
| Chain | Residue |
| B | ASP439 |
| B | SER442 |
| B | GLN446 |
| B | HIS485 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 508 |
| Chain | Residue |
| B | SER257 |
| B | VAL325 |
| B | ASP326 |
| B | ASP329 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 509 |
| Chain | Residue |
| B | LYS223 |
| B | LYS434 |
| B | LYS436 |
| B | HOH619 |
| B | HOH804 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 510 |
| Chain | Residue |
| B | ASN95 |
| B | ARG98 |
| B | GLN124 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 14 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"O96693","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 14 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"P45568","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"25781377","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27487410","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4Y67","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4Y6P","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4Y6R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4Y6S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JAZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JBI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JC1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JMP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JMW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JNL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JO0","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
