PDB entry 4tn4

View 4tn4 on RCSB PDB site
Description: Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Class: transferase/transferase inhibitor
Keywords: alpha and beta protein, Transferase, methyltransferase activity, Inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-06-03, released 2015-03-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: serine hydroxymethyltransferase
    Species: Plasmodium vivax [TaxId:126793]
    Gene: PVX_100730
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4tn4a_
  • Chain 'B':
    Compound: serine hydroxymethyltransferase
    Species: Plasmodium vivax [TaxId:126793]
    Gene: PVX_100730
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4tn4b_
  • Chain 'C':
    Compound: serine hydroxymethyltransferase
    Species: Plasmodium vivax [TaxId:126793]
    Gene: PVX_100730
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4tn4c_
  • Heterogens: PLG, BME, 33G, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4tn4A (A:)
    mfnnepleqidkelhdiladeekrqretinliasenltngavreclgnrvsnkysegypk
    kryyggndfidkieelcqkraleafnvsdeewgvnvqplsgsaanvqalyalvgvkgkim
    gmhlcsgghlthgffdekkkvsitsdmfesklykcnsqgyvdldavremalsfkpkviic
    gytsyprdidyqqfrqicdevnaylfadishissfvacnilnnpflhadvvtttthkilr
    gprsaliffnkkrnpgieqkinsavfpsfqggphnnkiaavacqlkevhspafkeytqqv
    llnskalakaliskqidlvtngtdnhlivvdlrkfsitgsklqetcnainvslnkntips
    dvdcvspsgvrigtpamttrgakekdmefiadvlaraikitvdlqeqygkklvdfkkglp
    gnaqlqqlkqevvtwagalpfp
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4tn4B (B:)
    mfnnepleqidkelhdiladeekrqretinliasenltngavreclgnrvsnkysegypk
    kryyggndfidkieelcqkraleafnvsdeewgvnvqplsgsaanvqalyalvgvkgkim
    gmhlcsgghlthgffdekkkvsitsdmfesklykcnsqgyvdldavremalsfkpkviic
    gytsyprdidyqqfrqicdevnaylfadishissfvacnilnnpflhadvvtttthkilr
    gprsaliffnkkrnpgieqkinsavfpsfqggphnnkiaavacqlkevhspafkeytqqv
    llnskalakaliskqidlvtngtdnhlivvdlrkfsitgsklqetcnainvslnkntips
    dvdcvspsgvrigtpamttrgakekdmefiadvlaraikitvdlqeqygkklvdfkkglp
    gnaqlqqlkqevvtwagalpfp
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4tn4C (C:)
    mfnnepleqidkelhdiladeekrqretinliasenltngavreclgnrvsnkysegypk
    kryyggndfidkieelcqkraleafnvsdeewgvnvqplsgsaanvqalyalvgvkgkim
    gmhlcsgghlthgffdekkkvsitsdmfesklykcnsqgyvdldavremalsfkpkviic
    gytsyprdidyqqfrqicdevnaylfadishissfvacnilnnpflhadvvtttthkilr
    gprsaliffnkkrnpgieqkinsavfpsfqggphnnkiaavacqlkevhspafkeytqqv
    llnskalakaliskqidlvtngtdnhlivvdlrkfsitgsklqetcnainvslnkntips
    dvdcvspsgvrigtpamttrgakekdmefiadvlaraikitvdlqeqygkklvdfkkglp
    gnaqlqqlkqevvtwagalpfp