PDB entry 4hw2

View 4hw2 on RCSB PDB site
Description: Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Class: apoptosis/inhibitor
Keywords: regulation of apoptosis, maintenance of viability, APOPTOSIS, APOPTOSIS-INHIBITOR complex
Deposited on 2012-11-07, released 2013-01-09
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-03-06, with a file datestamp of 2013-03-01.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.217
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Induced myeloid leukemia cell differentiation protein Mcl-1
    Species: Homo sapiens [TaxId:9606]
    Gene: MCL1, BCL2L3
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q07820 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.03: d4hw2a_
  • Chain 'B':
    Compound: Induced myeloid leukemia cell differentiation protein Mcl-1
    Species: Homo sapiens [TaxId:9606]
    Gene: MCL1, BCL2L3
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q07820 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.03: d4hw2b_
  • Chain 'C':
    Compound: Induced myeloid leukemia cell differentiation protein Mcl-1
    Species: Homo sapiens [TaxId:9606]
    Gene: MCL1, BCL2L3
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q07820 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.03: d4hw2c_
  • Chain 'D':
    Compound: Induced myeloid leukemia cell differentiation protein Mcl-1
    Species: Homo sapiens [TaxId:9606]
    Gene: MCL1, BCL2L3
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q07820 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.03: d4hw2d_
  • Chain 'E':
    Compound: Induced myeloid leukemia cell differentiation protein Mcl-1
    Species: Homo sapiens [TaxId:9606]
    Gene: MCL1, BCL2L3
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q07820 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.03: d4hw2e_
  • Chain 'F':
    Compound: Induced myeloid leukemia cell differentiation protein Mcl-1
    Species: Homo sapiens [TaxId:9606]
    Gene: MCL1, BCL2L3
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q07820 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.03: d4hw2f_
  • Heterogens: 19H, PGE, EDO

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4hw2A (A:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffhved

    Sequence, based on observed residues (ATOM records): (download) 
    >4hw2A (A:)
gdelyrqsleiisrylreqatgakdtkpmsgatsrkaletlrrvgdgvqrnhetafqgml
rkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqescieplae
sitdvlvrtkrdwlvkqrgwdgfveffhv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4hw2B (B:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffhved

    Sequence, based on observed residues (ATOM records): (download) 
    >4hw2B (B:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffhv

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4hw2C (C:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffhved

    Sequence, based on observed residues (ATOM records): (download) 
    >4hw2C (C:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffh

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4hw2D (D:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffhved

    Sequence, based on observed residues (ATOM records): (download) 
    >4hw2D (D:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffhv

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >4hw2E (E:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffhved

    Sequence, based on observed residues (ATOM records): (download) 
    >4hw2E (E:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffhv

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >4hw2F (F:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffhved

    Sequence, based on observed residues (ATOM records): (download) 
    >4hw2F (F:)
gdelyrqsleiisrylreqatgakdtkpmgrsgatsrkaletlrrvgdgvqrnhetafqg
mlrkldikneddvkslsrvmihvfsdgvtnwgrivtlisfgafvakhlktinqesciepl
aesitdvlvrtkrdwlvkqrgwdgfveffh