PDB entry 4mpv

View 4mpv on RCSB PDB site
Description: Human beta-tryptase co-crystal structure with (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide
Class: hydrolase/hydrolase inhibitor
Keywords: coferon, alpha-hydroxyketone, small molecule inhibitor, drug discovery, self-assembly, crystal catalysis, 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: 2.31 Å
R-factor: N/A
AEROSPACI score: 0.24 (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: d4mpva_
  • 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: d4mpvb_
  • Heterogens: 2A4, SO4, MES, CL, HOH

PDB Chain Sequences:

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

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

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

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