4GAE
Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor
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 | 26 |
| Details | BINDING SITE FOR RESIDUE NDP A 501 |
| Chain | Residue |
| A | GLY84 |
| A | SER117 |
| A | HIS136 |
| A | GLY180 |
| A | ILE181 |
| A | ASP182 |
| A | GLN185 |
| A | ALA203 |
| A | ASN204 |
| A | LYS205 |
| A | GLU206 |
| A | THR86 |
| A | ASP231 |
| A | TRP296 |
| A | MET298 |
| A | GLY299 |
| A | MET360 |
| A | HOH1552 |
| A | HOH1560 |
| A | GLY87 |
| A | SER88 |
| A | ILE89 |
| A | TYR113 |
| A | VAL114 |
| A | ASN115 |
| A | LYS116 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE FOB A 502 |
| Chain | Residue |
| A | ASP231 |
| A | SER232 |
| A | GLU233 |
| A | SER269 |
| A | SER270 |
| A | TRP296 |
| A | SER306 |
| A | ASN311 |
| A | LYS312 |
| A | GLU315 |
| A | CYS338 |
| A | NDP501 |
| A | MN504 |
| A | HOH1516 |
| A | HOH1523 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE FOQ A 503 |
| Chain | Residue |
| A | ASP231 |
| A | SER232 |
| A | GLU233 |
| A | SER269 |
| A | SER270 |
| A | TRP296 |
| A | MET298 |
| A | SER306 |
| A | ASN311 |
| A | LYS312 |
| A | GLU315 |
| A | CYS338 |
| A | NDP501 |
| A | MN504 |
| A | HOH1516 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MN A 504 |
| Chain | Residue |
| A | ASP231 |
| A | GLU233 |
| A | GLU315 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 505 |
| Chain | Residue |
| A | LYS245 |
| A | ASN261 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE ACT A 506 |
| Chain | Residue |
| A | TYR357 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 507 |
| Chain | Residue |
| A | ASP324 |
| site_id | AC8 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NDP B 501 |
| Chain | Residue |
| B | GLY84 |
| B | THR86 |
| B | GLY87 |
| B | SER88 |
| B | ILE89 |
| B | TYR113 |
| B | VAL114 |
| B | ASN115 |
| B | LYS116 |
| B | SER117 |
| B | HIS136 |
| B | GLY180 |
| B | ILE181 |
| B | ASP182 |
| B | GLN185 |
| B | ALA203 |
| B | ASN204 |
| B | LYS205 |
| B | GLU206 |
| B | ASP231 |
| B | TRP296 |
| B | GLY299 |
| B | MET360 |
| B | HOH628 |
| B | HOH657 |
| site_id | AC9 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE FOB B 502 |
| Chain | Residue |
| B | GLU315 |
| B | CYS338 |
| B | NDP501 |
| B | MN504 |
| B | HOH602 |
| B | HOH626 |
| B | LYS205 |
| B | ASP231 |
| B | SER232 |
| B | GLU233 |
| B | SER269 |
| B | SER270 |
| B | TRP296 |
| B | MET298 |
| B | SER306 |
| B | ASN311 |
| B | LYS312 |
| site_id | BC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE FOQ B 503 |
| Chain | Residue |
| B | LYS205 |
| B | ASP231 |
| B | SER232 |
| B | GLU233 |
| B | SER269 |
| B | SER270 |
| B | TRP296 |
| B | MET298 |
| B | SER306 |
| B | ASN311 |
| B | LYS312 |
| B | GLU315 |
| B | CYS338 |
| B | MN504 |
| B | HOH626 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN B 504 |
| Chain | Residue |
| B | LYS205 |
| B | ASP231 |
| B | GLU233 |
| B | GLU315 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MN B 505 |
| Chain | Residue |
| A | ASP242 |
| A | HOH1514 |
| A | HOH1542 |
| B | GLN239 |
| B | LEU241 |
| B | HOH623 |
| B | HOH654 |
| site_id | BC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MN B 506 |
| Chain | Residue |
| B | ASN452 |
| B | HOH615 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT B 507 |
| Chain | Residue |
| B | GLN454 |
| B | HOH647 |
| site_id | BC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 508 |
| Chain | Residue |
| B | SER441 |
| B | SER445 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 509 |
| Chain | Residue |
| B | PRO371 |
| B | ASP372 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22355528","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3AU8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3AU9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3AUA","evidenceCode":"ECO:0007744"}]} |
| 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 | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22355528","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3AU9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3AUA","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22355528","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3AU8","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
