PDB entry 4raq

View 4raq on RCSB PDB site
Description: Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents
Class: transferase/transferase inhibitor
Keywords: Hypoxanthine-guanine phosphoribosyltransferase, Acyclic nucleoside monophosphonates, Malaria, 6-oxopurine phosphoribosyltransferase, 9-[(N-Phosphonoethyl-N-phosphonomethoxyethyl)-2-aminoethyl]hypoxanthine, cytoplasmic, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-09-10, released 2015-01-07
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-12-23, with a file datestamp of 2015-12-18.
Experiment type: XRAY
Resolution: 2.53 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: hypoxanthine-guanine phosphoribosyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: HPRT1, HPRT
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4raqa_
  • Chain 'B':
    Compound: hypoxanthine-guanine phosphoribosyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: HPRT1, HPRT
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4raqb_
  • Chain 'C':
    Compound: hypoxanthine-guanine phosphoribosyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: HPRT1, HPRT
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4raqc_
  • Chain 'D':
    Compound: hypoxanthine-guanine phosphoribosyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: HPRT1, HPRT
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4raqd_
  • Heterogens: 3L8, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4raqA (A:)
atrspgvvisddepgydldlfcipnhyaedlervfiphglimdrterlardvmkemgghh
ivalcvlkggykffadlldyikalnrnsdrsipmtvdfirlksycndqstgdikviggdd
lstltgknvlivediidtgktmqtllslvrqynpkmvkvasllvkrtprsvgykpdfvgf
eipdkfvvgyaldyneyfrdlnhvcvisetgkakyka

    Sequence, based on observed residues (ATOM records): (download) 
    >4raqA (A:)
spgvvisddepgydldlfcipnhyaedlervfiphglimdrterlardvmkemgghhiva
lcvlkggykffadlldyikalnrnsdrsipmtvdfirlksdlstltgknvlivediidtg
ktmqtllslvrqynpkmvkvasllvkrtprsvgykpdfvgfeipdkfvvgyaldyneyfr
dlnhvcvisetgkakyka

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4raqB (B:)
atrspgvvisddepgydldlfcipnhyaedlervfiphglimdrterlardvmkemgghh
ivalcvlkggykffadlldyikalnrnsdrsipmtvdfirlksycndqstgdikviggdd
lstltgknvlivediidtgktmqtllslvrqynpkmvkvasllvkrtprsvgykpdfvgf
eipdkfvvgyaldyneyfrdlnhvcvisetgkakyka

    Sequence, based on observed residues (ATOM records): (download) 
    >4raqB (B:)
spgvvisddepgydldlfcipnhyaedlervfiphglimdrterlardvmkemgghhiva
lcvlkggykffadlldyikalnrnsdrsipmtvdfirlkikvilstltgknvlivediid
tgktmqtllslvrqynpkmvkvasllvkrtprsvgykpdfvgfeipdkfvvgyaldyney
frdlnhvcvisetgkakyka

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4raqC (C:)
atrspgvvisddepgydldlfcipnhyaedlervfiphglimdrterlardvmkemgghh
ivalcvlkggykffadlldyikalnrnsdrsipmtvdfirlksycndqstgdikviggdd
lstltgknvlivediidtgktmqtllslvrqynpkmvkvasllvkrtprsvgykpdfvgf
eipdkfvvgyaldyneyfrdlnhvcvisetgkakyka

    Sequence, based on observed residues (ATOM records): (download) 
    >4raqC (C:)
pgvvisddepgydldlfcipnhyaedlervfiphglimdrterlardvmkemgghhival
cvlkggykffadlldyikalnrnsdrsipmtvdfirliggddlstltgknvlivediidt
gktmqtllslvrqynpkmvkvasllvkrtprvgykpdfvgfeipdkfvvgyaldyneyfr
dlnhvcvisetgkakyka

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4raqD (D:)
atrspgvvisddepgydldlfcipnhyaedlervfiphglimdrterlardvmkemgghh
ivalcvlkggykffadlldyikalnrnsdrsipmtvdfirlksycndqstgdikviggdd
lstltgknvlivediidtgktmqtllslvrqynpkmvkvasllvkrtprsvgykpdfvgf
eipdkfvvgyaldyneyfrdlnhvcvisetgkakyka

    Sequence, based on observed residues (ATOM records): (download) 
    >4raqD (D:)
rspgvvisddepgydldlfcipnhyaedlervfiphglimdrterlardvmkemgghhiv
alcvlkggykffadlldyikalnrnsdrsipmtvdfirlkvigdlstltgknvlivedii
dtgktmqtllslvrqynpkmvkvasllvkrtprsvgykpdfvgfeipdkfvvgyaldyne
yfrdlnhvcvisetgkakyka