PDB entry 3upr

View 3upr on RCSB PDB site
Description: HLA-B*57:01 complexed to pep-V and Abacavir
Class: immune system
Keywords: HLA-B*57:01, MHC, antigen presenting cell, T-cell receptor, human leukocyte antigen, drug hypersensitivity, abacavir hypersensitivity, repertoire-altering small molecule, immune response, Immunoglobulin-like beta-sandwich, IMMUNE SYSTEM
Deposited on 2011-11-18, released 2012-06-13
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-11-14, with a file datestamp of 2012-11-09.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.189
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: hla class I histocompatibility antigen, b-57 alpha chain
    Species: Homo sapiens [TaxId:9606]
    Gene: HLA-B, HLAB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3upra1, d3upra2
  • Chain 'B':
    Compound: Beta-2-microglobulin
    Species: Homo sapiens [TaxId:9606]
    Gene: B2M, CDABP0092, HDCMA22P
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3uprb_
  • Chain 'C':
    Compound: hla class I histocompatibility antigen, b-57 alpha chain
    Species: Homo sapiens [TaxId:9606]
    Gene: HLA-B, HLAB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3uprc1, d3uprc2
  • Chain 'D':
    Compound: Beta-2-microglobulin
    Species: Homo sapiens [TaxId:9606]
    Gene: B2M, CDABP0092, HDCMA22P
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3uprd_
  • Chain 'P':
    Compound: pep-V
    Database cross-references and differences (RAF-indexed):
    • PDB 3UPR (0-8)
  • Chain 'Q':
    Compound: pep-V
    Database cross-references and differences (RAF-indexed):
    • PDB 3UPR (0-8)
  • Heterogens: 1KX, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3uprA (A:)
mgshsmryfytamsrpgrgeprfiavgyvddtqfvrfdsdaasprmaprapwieqegpey
wdgetrnmkasaqtyrenlrialryynqseagshiiqvmygcdvgpdgrllrghdqsayd
gkdyialnedlsswtaadtaaqitqrkweaarvaeqlrayleglcvewlrrylengketl
qradppkthvthhpisdheatlrcwalgfypaeitltwqrdgedqtqdtelvetrpagdr
tfqkwaavvvpsgeeqrytchvqheglpkpltlrwep

    Sequence, based on observed residues (ATOM records): (download) 
    >3uprA (A:)
shsmryfytamsrpgrgeprfiavgyvddtqfvrfdsdaasprmaprapwieqegpeywd
getrnmkasaqtyrenlrialryynqseagshiiqvmygcdvgpdgrllrghdqsaydgk
dyialnedlsswtaadtaaqitqrkweaarvaeqlrayleglcvewlrrylengketlqr
adppkthvthhpisdheatlrcwalgfypaeitltwqrdgedqtqdtelvetrpagdrtf
qkwaavvvpsgeeqrytchvqheglpkpltlrwep

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3uprB (B:)
iqrtpkiqvysrhpaengksnflncyvsgfhpsdievdllkngeriekvehsdlsfskdw
sfyllyyteftptekdeyacrvnhvtlsqpkivkwdrdm

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3uprC (C:)
mgshsmryfytamsrpgrgeprfiavgyvddtqfvrfdsdaasprmaprapwieqegpey
wdgetrnmkasaqtyrenlrialryynqseagshiiqvmygcdvgpdgrllrghdqsayd
gkdyialnedlsswtaadtaaqitqrkweaarvaeqlrayleglcvewlrrylengketl
qradppkthvthhpisdheatlrcwalgfypaeitltwqrdgedqtqdtelvetrpagdr
tfqkwaavvvpsgeeqrytchvqheglpkpltlrwep

    Sequence, based on observed residues (ATOM records): (download) 
    >3uprC (C:)
shsmryfytamsrpgrgeprfiavgyvddtqfvrfdsdaasprmaprapwieqegpeywd
getrnmkasaqtyrenlrialryynqseagshiiqvmygcdvgpdgrllrghdqsaydgk
dyialnedlsswtaadtaaqitqrkweaarvaeqlrayleglcvewlrrylengketlqr
adppkthvthhpisdheatlrcwalgfypaeitltwqrdgedqtqdtelvetrpagdrtf
qkwaavvvpsgeeqrytchvqheglpkpltlrwep

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3uprD (D:)
iqrtpkiqvysrhpaengksnflncyvsgfhpsdievdllkngeriekvehsdlsfskdw
sfyllyyteftptekdeyacrvnhvtlsqpkivkwdrdm

  • Chain 'P':
    No sequence available.

  • Chain 'Q':
    No sequence available.