PDB entry 5w86

View 5w86 on RCSB PDB site
Description: crystal structure of jak3 kinase domain with a 4,6-diaminonicotinamide inhibitor (compound number 7)
Class: transferase/transferase inhibitor
Keywords: serine/threonine protein kinase, transferase, transferase-transferase inhibitor complex
Deposited on 2017-06-21, released 2017-10-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-10-25, with a file datestamp of 2017-10-20.
Experiment type: XRAY
Resolution: 2.61 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase JAK3
    Species: Homo sapiens [TaxId:9606]
    Gene: JAK3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52333 (0-End)
      • engineered mutation (226)
      • engineered mutation (234)
    Domains in SCOPe 2.08: d5w86a_
  • Chain 'B':
    Compound: Tyrosine-protein kinase JAK3
    Species: Homo sapiens [TaxId:9606]
    Gene: JAK3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52333
      • engineered mutation (226)
      • engineered mutation (234)
    Domains in SCOPe 2.08: d5w86b_
  • Chain 'C':
    Compound: Tyrosine-protein kinase JAK3
    Species: Homo sapiens [TaxId:9606]
    Gene: JAK3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52333 (0-End)
      • engineered mutation (226)
      • engineered mutation (234)
    Domains in SCOPe 2.08: d5w86c_
  • Chain 'D':
    Compound: Tyrosine-protein kinase JAK3
    Species: Homo sapiens [TaxId:9606]
    Gene: JAK3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52333 (0-End)
      • engineered mutation (226)
      • engineered mutation (234)
    Domains in SCOPe 2.08: d5w86d_
  • Heterogens: 9YV, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5w86A (A:)
ptifeerhlkyisqlgkgnfgsvelcrydplgdntgalvavkqlqhsgpdqqrdfqreiq
ilkalhsdfivkyrgvsygpgrqslrlvmeylpsgclrdflqrhrarldasrlllyssqi
ckgmeylgsrrcvhrdlaarnilveseahvkiadfglakllpldkdyyvvrepgqspifw
yapeslsdnifsrqsdvwsfgvvlyelftycdkscspsaeflrmmgserdvpalsrllel
leegqrlpappacpaevhelmklcwapspqdrpsfsalgpqldmlws

    Sequence, based on observed residues (ATOM records): (download) 
    >5w86A (A:)
ptifeerhlkyisqlgkgsvelcrydplgdntgalvavkqlqhsgpdqqrdfqreiqilk
alhsdfivkyrgvsylrlvmeylpsgclrdflqrhrarldasrlllyssqickgmeylgs
rrcvhrdlaarnilveseahvkiadfglakllpldkdyyvvspifwyapeslsdnifsrq
sdvwsfgvvlyelftycdkscspsaeflrmmgserdvpalsrllelleegqrlpappacp
aevhelmklcwapspqdrpsfsalgpqldml

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5w86B (B:)
ptifeerhlkyisqlgkgnfgsvelcrydplgdntgalvavkqlqhsgpdqqrdfqreiq
ilkalhsdfivkyrgvsygpgrqslrlvmeylpsgclrdflqrhrarldasrlllyssqi
ckgmeylgsrrcvhrdlaarnilveseahvkiadfglakllpldkdyyvvrepgqspifw
yapeslsdnifsrqsdvwsfgvvlyelftycdkscspsaeflrmmgserdvpalsrllel
leegqrlpappacpaevhelmklcwapspqdrpsfsalgpqldmlws

    Sequence, based on observed residues (ATOM records): (download) 
    >5w86B (B:)
ifeerhlkyisqlgkgsvelcrydplgdntgalvavkqlqhsgpdqqrdfqreiqilkal
hsdfivkyrgvsylrlvmeylpsgclrdflqrhrarldasrlllyssqickgmeylgsrr
cvhrdlaarnilveseahvkiadfglakllpldkdyyvvspifwyapeslsdnifsrqsd
vwsfgvvlyelftycdkscspsaeflrmmgserdvpalsrllelleegqrlpappacpae
vhelmklcwapspqdrpsfsalgpqldml

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5w86C (C:)
ptifeerhlkyisqlgkgnfgsvelcrydplgdntgalvavkqlqhsgpdqqrdfqreiq
ilkalhsdfivkyrgvsygpgrqslrlvmeylpsgclrdflqrhrarldasrlllyssqi
ckgmeylgsrrcvhrdlaarnilveseahvkiadfglakllpldkdyyvvrepgqspifw
yapeslsdnifsrqsdvwsfgvvlyelftycdkscspsaeflrmmgserdvpalsrllel
leegqrlpappacpaevhelmklcwapspqdrpsfsalgpqldmlws

    Sequence, based on observed residues (ATOM records): (download) 
    >5w86C (C:)
ptifeerhlkyisqlgkgnfgsvelcrydplgdntgalvavkqlqhsgpdqqrdfqreiq
ilkalhsdfivkyrgvsyglrlvmeylpsgclrdflqrhrarldasrlllyssqickgme
ylgsrrcvhrdlaarnilveseahvkiadfglakllpldkdyyvvpifwyapeslsdnif
srqsdvwsfgvvlyelftycdkscspsaeflrmmgserdvpalsrllelleegqrlpapp
acpaevhelmklcwapspqdrpsfsalgpqldmlw

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5w86D (D:)
ptifeerhlkyisqlgkgnfgsvelcrydplgdntgalvavkqlqhsgpdqqrdfqreiq
ilkalhsdfivkyrgvsygpgrqslrlvmeylpsgclrdflqrhrarldasrlllyssqi
ckgmeylgsrrcvhrdlaarnilveseahvkiadfglakllpldkdyyvvrepgqspifw
yapeslsdnifsrqsdvwsfgvvlyelftycdkscspsaeflrmmgserdvpalsrllel
leegqrlpappacpaevhelmklcwapspqdrpsfsalgpqldmlws

    Sequence, based on observed residues (ATOM records): (download) 
    >5w86D (D:)
ptifeerhlkyisqlgkgnfgsvelcrydplgdntgalvavkqlqgpdqqrdfqreiqil
kalhsdfivkyrgvsyslrlvmeylpsgclrdflqrhrarldasrlllyssqickgmeyl
gsrrcvhrdlaarnilveseahvkiadfglakllpldkdyyvvspifwyapeslsdnifs
rqsdvwsfgvvlyelftycdkscspsaeflrmmgserdvpalsrllelleegqrlpappa
cpaevhelmklcwapspqdrpsfsalgpqldmlw