PDB entry 4tmr

View 4tmr on RCSB PDB site
Description: Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate .
Class: transferase/transferase inhibitor
Keywords: alpha and beta protein, Transferase, methyltransferase activity, Inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-06-02, released 2015-03-25
The last revision prior to the SCOPe 2.05 freeze date was dated 2015-03-25, with a file datestamp of 2015-03-20.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.17 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine hydroxymethyltransferase, putative
    Species: Plasmodium vivax [TaxId:126793]
    Gene: PVX_100730
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4tmra_
  • Chain 'B':
    Compound: Serine hydroxymethyltransferase, putative
    Species: Plasmodium vivax [TaxId:126793]
    Gene: PVX_100730
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4tmrb_
  • Chain 'C':
    Compound: Serine hydroxymethyltransferase, putative
    Species: Plasmodium vivax [TaxId:126793]
    Gene: PVX_100730
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4tmrc_
  • Heterogens: PLG, 99S, CL, HOH

PDB Chain Sequences:

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

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

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