PDB entry 4mpw

View 4mpw on RCSB PDB site
Description: Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
Class: hydrolase/hydrolase inhibitor
Keywords: coferon, alpha-hydroxyketone, small molecule inhibitor, drug discovery, self-assembly, crystal catalysis, silanol, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-09-13, released 2015-03-18
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-09-25, with a file datestamp of 2019-09-20.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: tryptase alpha/beta-1
    Species: Homo sapiens [TaxId:9606]
    Gene: TPS1, TPS2, TPSAB1, TPSB1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q15661 (0-End)
      • see remark 999 (101)
    Domains in SCOPe 2.08: d4mpwa_
  • Chain 'B':
    Compound: tryptase alpha/beta-1
    Species: Homo sapiens [TaxId:9606]
    Gene: TPS1, TPS2, TPSAB1, TPSB1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q15661 (0-End)
      • see remark 999 (101)
    Domains in SCOPe 2.08: d4mpwb_
  • Heterogens: CL, PGE, ACT, 2AJ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4mpwA (A:)
ivggqeaprskwpwqvslrvhgpywmhfcggslihpqwvltaahcvgpdvkdlaalrvql
reqhlyyqdqllpvsriivhpqfytaqigadialleleepvkvsshvhtvtlppasetfp
pgmpcwvtgwgdvdnderlpppfplkqvkvpimenhicdakyhlgaytgddvrivrddml
cagntrrdscqgdsggplvckvngtwlqagvvswgegcaqpnrpgiytrvtyyldwihhy
vpkkp

    Sequence, based on observed residues (ATOM records): (download) 
    >4mpwA (A:)
ivggqeaprskwpwqvslrvhgpywmhfcggslihpqwvltaahcvgpdvkdlaalrvql
reqhlyyqdqllpvsriivhpqfytaqigadialleleepvkvsshvhtvtlppasetfp
pgmpcwvtgwgdvdnderlpppfplkqvkvpimenhicdakyhlgaytgddvrivrddml
cagntrrdscqgdsggplvckvngtwlqagvvswgegcaqpnrpgiytrvtyyldwihhy
vpk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4mpwB (B:)
ivggqeaprskwpwqvslrvhgpywmhfcggslihpqwvltaahcvgpdvkdlaalrvql
reqhlyyqdqllpvsriivhpqfytaqigadialleleepvkvsshvhtvtlppasetfp
pgmpcwvtgwgdvdnderlpppfplkqvkvpimenhicdakyhlgaytgddvrivrddml
cagntrrdscqgdsggplvckvngtwlqagvvswgegcaqpnrpgiytrvtyyldwihhy
vpkkp

    Sequence, based on observed residues (ATOM records): (download) 
    >4mpwB (B:)
ivggqeaprskwpwqvslrvhgpywmhfcggslihpqwvltaahcvgpdvkdlaalrvql
reqhlyyqdqllpvsriivhpqfytaqigadialleleepvkvsshvhtvtlppasetfp
pgmpcwvtgwgdvdnderlpppfplkqvkvpimenhicdakyhlgaytgddvrivrddml
cagntrrdscqgdsggplvckvngtwlqagvvswgegcaqpnrpgiytrvtyyldwihhy
vpk