PDB entry 4zjj

View 4zjj on RCSB PDB site
Description: PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
Class: transferase
Keywords: PAK1, inhibitor, kinase, allosteric, transferase
Deposited on 2015-04-29, released 2015-06-24
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-07-29, with a file datestamp of 2015-07-24.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine/threonine-protein kinase PAK 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PAK1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4zjja_
  • Chain 'B':
    Compound: Serine/threonine-protein kinase PAK 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PAK1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4zjjb_
  • Chain 'C':
    Compound: Serine/threonine-protein kinase PAK 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PAK1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4zjjc_
  • Chain 'D':
    Compound: Serine/threonine-protein kinase PAK 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PAK1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4zjjd_
  • Heterogens: 4OR, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4zjjA (A:)
gpsdeeileklrsivsvgdpkkkytrfekigqgasgtvytamdvatgqevaikqmnlqqq
pkkeliineilvmrenknpnivnyldsylvgdelwvvmeylaggsltdvvtetcmdegqi
aavcreclqaleflhsnqvihrdiksdnillgmdgsvkltdfgfcaqitpeqskrstmvg
tpywmapevvtrkaygpkvdiwslgimaiemiegeppylnenplralyliatngtpelqn
peklsaifrdflnrclemdvekrgsakellqhqflkiakplssltpliaaakeatknnh

    Sequence, based on observed residues (ATOM records): (download) 
    >4zjjA (A:)
sdeeileklrsivsvgdpkkkytrfekigqgasgtvytamdvatgqevaikqmnlqkeli
ineilvmrenknpnivnyldsylvgdelwvvmeylaggsltdvvtetcmdegqiaavcre
clqaleflhsnqvihrdiksdnillgmdgsvkltdfgfcaqittmvgtpywmapevvtrk
aygpkvdiwslgimaiemiegeppylnenplralyliatngtpelqnpeklsaifrdfln
rclemdvekrgsakellqhqflkiakplssltpliaaake

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4zjjB (B:)
gpsdeeileklrsivsvgdpkkkytrfekigqgasgtvytamdvatgqevaikqmnlqqq
pkkeliineilvmrenknpnivnyldsylvgdelwvvmeylaggsltdvvtetcmdegqi
aavcreclqaleflhsnqvihrdiksdnillgmdgsvkltdfgfcaqitpeqskrstmvg
tpywmapevvtrkaygpkvdiwslgimaiemiegeppylnenplralyliatngtpelqn
peklsaifrdflnrclemdvekrgsakellqhqflkiakplssltpliaaakeatknnh

    Sequence, based on observed residues (ATOM records): (download) 
    >4zjjB (B:)
eeileklrsivsvgdpkkkytrfekigqgasgtvytamdvatgqevaikqmnlkeliine
ilvmrenknpnivnyldsylvgdelwvvmeylaggsltdvvtetcmdegqiaavcreclq
aleflhsnqvihrdiksdnillgmdgsvkltdfgfcaqittmvgtpywmapevvtrkayg
pkvdiwslgimaiemiegeppylnenplralyliatngtpelqnpeklsaifrdflnrcl
emdvekrgsakellqhqflkiakplssltpliaaake

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4zjjC (C:)
gpsdeeileklrsivsvgdpkkkytrfekigqgasgtvytamdvatgqevaikqmnlqqq
pkkeliineilvmrenknpnivnyldsylvgdelwvvmeylaggsltdvvtetcmdegqi
aavcreclqaleflhsnqvihrdiksdnillgmdgsvkltdfgfcaqitpeqskrstmvg
tpywmapevvtrkaygpkvdiwslgimaiemiegeppylnenplralyliatngtpelqn
peklsaifrdflnrclemdvekrgsakellqhqflkiakplssltpliaaakeatknnh

    Sequence, based on observed residues (ATOM records): (download) 
    >4zjjC (C:)
eeileklrsivsvgdpkkkytrfekigqgasgtvytamdvaqevaikqmnlqkkeliine
ilvmrenknpnivnyldsylvelwvvmeylaggsltdvvtetcmdegqiaavcreclqal
eflhsnqvihrdiksdnillgmdgsvkltdfgeqskrstmvgtpywmapevvtaygpkvd
iwslgimaiemiegeppylnenplralyliatngtpelqnpeklsaifrdflnrclemdv
ekrgsakellqhqflkiakplssltpliaaakeatk

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4zjjD (D:)
gpsdeeileklrsivsvgdpkkkytrfekigqgasgtvytamdvatgqevaikqmnlqqq
pkkeliineilvmrenknpnivnyldsylvgdelwvvmeylaggsltdvvtetcmdegqi
aavcreclqaleflhsnqvihrdiksdnillgmdgsvkltdfgfcaqitpeqskrstmvg
tpywmapevvtrkaygpkvdiwslgimaiemiegeppylnenplralyliatngtpelqn
peklsaifrdflnrclemdvekrgsakellqhqflkiakplssltpliaaakeatknnh

    Sequence, based on observed residues (ATOM records): (download) 
    >4zjjD (D:)
eileklrsivsvkkkytrfekigqgasgtvytamdvevaikqmnlpkkeliineilvmre
nknpnivnyldsygdelwvvmeylaggsltdvvtetcmdegqiaavcreclqaleflhsn
qvihrdiksdnillgmdgsvkltdfgfcpeqskrstmvgtpywmapevvtrkaygpkvdi
wslgimaiemiegeppylnenplralyliatngtpelqnpeklsaifrdflnrclemdve
krgsakellqhqflkiakplssltpliaaakeat