PDB entry 6x0t

View 6x0t on RCSB PDB site
Description: structure of human plasma factor xiia in complex with (2s)-1-(n,3- dicyclohexyl-d-alanyl)-4-[(4r,5s)-4-methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide (compound 8h)
Deposited on 2020-05-17, released 2021-05-19
The last revision was dated 2021-05-19, with a file datestamp of 2021-05-14.
Experiment type: XRAY
Resolution: 1.39 Å
R-factor: N/A
AEROSPACI score: 0.62 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Coagulation factor XII
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
  • Chain 'B':
    Compound: Coagulation factor XII
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: Coagulation factor XII
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
  • Heterogens: UJ7, SO4, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >6x0tA (A:)
lscgqrlrkslssmtrvvgglvalrgahpyiaalywghsfcagsliapcwvltaahclqd
rpapedltvvlgqerrnhscepcqtlavrsyrlheafspvsyqhdlallrlqedadgsca
llspyvqpvclpsgaarpsettlcqvagwghqfegaeeyasflqeaqvpflslercsapd
vhgssilpgmlcagfleggtdacqgdsggplvcedqaaerrltlqgiiswgsgcgdrnkp
gvytdvayylawirehtvs

    Sequence, based on observed residues (ATOM records):
    >6x0tA (A:)
lscgqrlrvvgglvalrgahpyiaalywghsfcagsliapcwvltaahclqdrpapedlt
vvlgqerrnhscepcqtlavrsyrlheafspvsyqhdlallrlqedadgscallspyvqp
vclpslcqvagwghqfegaeeyasflqeaqvpflslercsapdvhgssilpgmlcagfle
ggtdacqgdsggplvcedqaaerrltlqgiiswgsgcgdrnkpgvytdvayylawireht
v

  • Chain 'B':
    Sequence, based on SEQRES records:
    >6x0tB (B:)
lscgqrlrkslssmtrvvgglvalrgahpyiaalywghsfcagsliapcwvltaahclqd
rpapedltvvlgqerrnhscepcqtlavrsyrlheafspvsyqhdlallrlqedadgsca
llspyvqpvclpsgaarpsettlcqvagwghqfegaeeyasflqeaqvpflslercsapd
vhgssilpgmlcagfleggtdacqgdsggplvcedqaaerrltlqgiiswgsgcgdrnkp
gvytdvayylawirehtvs

    Sequence, based on observed residues (ATOM records):
    >6x0tB (B:)
scgqrlrvvgglvalrgahpyiaalywghsfcagsliapcwvltaahclqdrpapedltv
vlgqerrnhscepcqtlavrsyrlheafspvsyqhdlallrlqedscallspyvqpvclp
stlcqvagwghqfegaeeyasflqeaqvpflslercsapdvhgssilpgmlcagfleggt
dacqgdsggplvcedqaaerrltlqgiiswgsgcgdrnkpgvytdvayylawirehtv

  • Chain 'C':
    Sequence, based on SEQRES records:
    >6x0tC (C:)
lscgqrlrkslssmtrvvgglvalrgahpyiaalywghsfcagsliapcwvltaahclqd
rpapedltvvlgqerrnhscepcqtlavrsyrlheafspvsyqhdlallrlqedadgsca
llspyvqpvclpsgaarpsettlcqvagwghqfegaeeyasflqeaqvpflslercsapd
vhgssilpgmlcagfleggtdacqgdsggplvcedqaaerrltlqgiiswgsgcgdrnkp
gvytdvayylawirehtvs

    Sequence, based on observed residues (ATOM records):
    >6x0tC (C:)
scgqrlrvvgglvalrgahpyiaalywghsfcagsliapcwvltaahclqdrpapedltv
vlgqerrnhscepcqtlavrsyrlheafspvsyqhdlallrlqedadgscallspyvqpv
clpslcqvagwghqfegaeeyasflqeaqvpflslercsapdvhgssilpgmlcagfleg
gtdacqgdsggplvcedqaaerrltlqgiiswgsgcgdrnkpgvytdvayylawirehtv