PDB entry 4e47

View 4e47 on RCSB PDB site
Description: SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6- sulfonamide and S-adenosylmethionine
Class: transferase/transferase inhibitor
Keywords: ternary complex, SET domain, methyltransferase, inhibitor, S-adenosylmethionine, chromatin regulator, chromosomal protein, nucleus, transcription, transcription regulation, transferase, Structural Genomics Consortium, SGC, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2012-03-12, released 2012-03-28
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-03-28, with a file datestamp of 2012-03-23.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.162
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Histone-lysine N-methyltransferase SETD7
    Species: Homo sapiens [TaxId:9606]
    Gene: SETD7, KIAA1717, KMT7, SET7, SET9
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8WTS6 (Start-257)
      • expression tag (258-259)
    Domains in SCOPe 2.06: d4e47a1, d4e47a2, d4e47a3
  • Chain 'B':
    Compound: Histone-lysine N-methyltransferase SETD7
    Species: Homo sapiens [TaxId:9606]
    Gene: SETD7, KIAA1717, KMT7, SET7, SET9
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8WTS6 (Start-257)
      • expression tag (258-260)
    Domains in SCOPe 2.06: d4e47b1, d4e47b2, d4e47b3
  • Chain 'C':
    Compound: Histone-lysine N-methyltransferase SETD7
    Species: Homo sapiens [TaxId:9606]
    Gene: SETD7, KIAA1717, KMT7, SET7, SET9
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8WTS6 (Start-257)
      • expression tag (258-260)
    Domains in SCOPe 2.06: d4e47c1, d4e47c2, d4e47c3
  • Chain 'D':
    Compound: Histone-lysine N-methyltransferase SETD7
    Species: Homo sapiens [TaxId:9606]
    Gene: SETD7, KIAA1717, KMT7, SET7, SET9
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8WTS6 (Start-257)
      • expression tag (258-260)
    Domains in SCOPe 2.06: d4e47d1, d4e47d2, d4e47d3
  • Heterogens: SAM, 0N6, BME, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4e47A (A:)
qykdnirhgvcwiyypdggslvgevnedgemtgekiayvypdertalygkfidgemiegk
latlmsteegrphfelmpgnsvyhfdkstsscistnallpdpyeservyvaeslissage
glfskvavgpntvmsfyngvrithqevdsrdwalngntlsldeetvidvpepynhvskyc
aslghkanhsftpnciydmfvhprfgpikcirtlraveadeeltvaygydhsppgksgpe
apewyqvelkafqatqqkhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4e47A (A:)
hgvcwiyypdggslvgevnedgemtgekiayvypdertalygkfidgemiegklatlmst
eegrphfelmpgnsvyhfdkstsscistnallpdpyeservyvaeslissageglfskva
vgpntvmsfyngvrithqevdsrdwalngntlsldeetvidvpepynhvskycaslghka
nhsftpnciydmfvhprfgpikcirtlraveadeeltvaygydgpeapewyqvelkafqa
tqqkhh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4e47B (B:)
qykdnirhgvcwiyypdggslvgevnedgemtgekiayvypdertalygkfidgemiegk
latlmsteegrphfelmpgnsvyhfdkstsscistnallpdpyeservyvaeslissage
glfskvavgpntvmsfyngvrithqevdsrdwalngntlsldeetvidvpepynhvskyc
aslghkanhsftpnciydmfvhprfgpikcirtlraveadeeltvaygydhsppgksgpe
apewyqvelkafqatqqkhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4e47B (B:)
hgvcwiyypdggslvgevnedgemtgekiayvypdertalygkfidgemiegklatlmst
eegrphfelmpgnsvyhfdkstsscistnallpdpyeservyvaeslissageglfskva
vgpntvmsfyngvrithqevdsrdwalngntlsldeetvidvpepynhvskycaslghka
nhsftpnciydmfvhprfgpikcirtlraveadeeltvaygydeapewyqvelkafqatq
qkhhh

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4e47C (C:)
qykdnirhgvcwiyypdggslvgevnedgemtgekiayvypdertalygkfidgemiegk
latlmsteegrphfelmpgnsvyhfdkstsscistnallpdpyeservyvaeslissage
glfskvavgpntvmsfyngvrithqevdsrdwalngntlsldeetvidvpepynhvskyc
aslghkanhsftpnciydmfvhprfgpikcirtlraveadeeltvaygydhsppgksgpe
apewyqvelkafqatqqkhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4e47C (C:)
gvcwiyypdggslvgevnedgemtgekiayvypdertalygkfidgemiegklatlmste
egrphfelmpgnsvyhfdkstsscistnallpdpyeservyvaeslissageglfskvav
gpntvmsfyngvrithqevdsrdwalngntlsldeetvidvpepynhvskycaslghkan
hsftpnciydmfvhprfgpikcirtlraveadeeltvaygydhsapewyqvelkafqatq
qkhhh

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4e47D (D:)
qykdnirhgvcwiyypdggslvgevnedgemtgekiayvypdertalygkfidgemiegk
latlmsteegrphfelmpgnsvyhfdkstsscistnallpdpyeservyvaeslissage
glfskvavgpntvmsfyngvrithqevdsrdwalngntlsldeetvidvpepynhvskyc
aslghkanhsftpnciydmfvhprfgpikcirtlraveadeeltvaygydhsppgksgpe
apewyqvelkafqatqqkhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4e47D (D:)
hgvcwiyypdggslvgevnedgemtgekiayvypdertalygkfidgemiegklatlmst
eegrphfelmpgnsvyhfdkstsscistnallpdpyeservyvaeslissageglfskva
vgpntvmsfyngvrithqevdsrdwalngntlsldeetvidvpepynhvskycaslghka
nhsftpnciydmfvhprfgpikcirtlraveadeeltvaygydhspgpeapewyqvelka
fqatqqkhhh