PDB entry 4nqc

View 4nqc on RCSB PDB site
Description: Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
Class: immune system
Keywords: MR1, T-Cell receptor, immune receptor complex, Ig-fold, protein binding, Schiff base, membrane, IMMUNE SYSTEM
Deposited on 2013-11-25, released 2014-04-16
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-11-19, with a file datestamp of 2014-11-14.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.168
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Major histocompatibility complex class I-related gene protein
    Species: Homo sapiens [TaxId:9606]
    Gene: MR1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q95460 (1-End)
      • expression tag (0)
      • engineered mutation (261)
    Domains in SCOPe 2.06: d4nqca1, d4nqca2, d4nqca3
  • Chain 'B':
    Compound: Beta-2-microglobulin
    Species: Homo sapiens [TaxId:9606]
    Gene: B2M, Beta 2 microglobulin, CDABP0092, HDCMA22P
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4nqcb_
  • Chain 'C':
    Compound: Major histocompatibility complex class I-related gene protein
    Species: Homo sapiens [TaxId:9606]
    Gene: MR1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q95460 (1-End)
      • expression tag (0)
      • engineered mutation (261)
    Domains in SCOPe 2.06: d4nqcc1, d4nqcc2, d4nqcc3
  • Chain 'D':
    Compound: TcR alpha chain
    Species: Homo sapiens [TaxId:9606]
    Gene: TCR-alpha
    Database cross-references and differences (RAF-indexed):
    • PDB 4NQC
    Domains in SCOPe 2.06: d4nqcd1, d4nqcd2
  • Chain 'E':
    Compound: TCR beta chain
    Species: Homo sapiens [TaxId:9606]
    Gene: TCR-beta
    Database cross-references and differences (RAF-indexed):
    • PDB 4NQC
    Domains in SCOPe 2.06: d4nqce1, d4nqce2
  • Chain 'F':
    Compound: Beta-2-microglobulin
    Species: Homo sapiens [TaxId:9606]
    Gene: B2M, Beta 2 microglobulin, CDABP0092, HDCMA22P
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4nqcf_
  • Chain 'G':
    Compound: TcR alpha chain
    Species: Homo sapiens [TaxId:9606]
    Gene: TCR-alpha
    Database cross-references and differences (RAF-indexed):
    • PDB 4NQC
    Domains in SCOPe 2.06: d4nqcg1, d4nqcg2
  • Chain 'H':
    Compound: TCR beta chain
    Species: Homo sapiens [TaxId:9606]
    Gene: TCR-beta
    Database cross-references and differences (RAF-indexed):
    • PDB 4NQC (0-End)
    Domains in SCOPe 2.06: d4nqch1, d4nqch2
  • Heterogens: 2LJ, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4nqcA (A:)
    mrthslryfrlgvsdpihgvpefisvgyvdshpittydsvtrqkeprapwmaenlapdhw
    erytqllrgwqqmfkvelkrlqrhynhsgshtyqrmigcelledgsttgflqyaydgqdf
    lifnkdtlswlavdnvahtikqaweanqhellyqknwleeeciawlkrfleygkdtlqrt
    epplvrvnrketfpgvtalfckahgfyppeiymtwmkngeeivqeidygdilpsgdgtyq
    awasieldpqssnlyschvehsgvhmvlqvp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nqcA (A:)
    mrthslryfrlgvsdpihgvpefisvgyvdshpittydsvtrqkeprapwmaenlapdhw
    erytqllrgwqqmfkvelkrlqrhynhsgshtyqrmigcelledgsttgflqyaydgqdf
    lifnkdtlswlavdnvahtikqaweanqhellyqknwleeeciawlkrfleygkdtlqrt
    epplvrvnrlfckahgfyppeiymtwmkngeeivqeidygdilpsgdgtyqawasisnly
    schvehsgvhmvlqv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4nqcB (B:)
    iqrtpkiqvysrhpaengksnflncyvsgfhpsdievdllkngeriekvehsdlsfskdw
    sfyllyyteftptekdeyacrvnhvtlsqpkivkwdrdm
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nqcB (B:)
    iqrtpkiqvysrhpaengksnflncyvsgfhpsdievdllkngeriekvehsdlsfskdw
    sfyllyyteftptekdeyacrvnhvtlsqpkivkwd
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4nqcC (C:)
    mrthslryfrlgvsdpihgvpefisvgyvdshpittydsvtrqkeprapwmaenlapdhw
    erytqllrgwqqmfkvelkrlqrhynhsgshtyqrmigcelledgsttgflqyaydgqdf
    lifnkdtlswlavdnvahtikqaweanqhellyqknwleeeciawlkrfleygkdtlqrt
    epplvrvnrketfpgvtalfckahgfyppeiymtwmkngeeivqeidygdilpsgdgtyq
    awasieldpqssnlyschvehsgvhmvlqvp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nqcC (C:)
    mrthslryfrlgvsdpivpefisvgyvdshpittydsvtrqkeprapwmaenlapdhwer
    ytqllrgwqqmfkvelkrlqrhynhsgshtyqrmigcelledgsttgflqyaydgqdfli
    fnkdtlswlavdnvahtikqaweanqhellyqknwleeeciawlkrfleygkdtlqrtep
    plvrvnrketfpgvtalfckahgfyppeiymtwmkngeeivqeidygdilpsgdgtyqaw
    asielnlyschvehsgvhmvlqv
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4nqcD (D:)
    gqnidqptemtategaivqinctyqtsgfnglfwyqqhageaptflsynvldgleekgrf
    ssflsrskgysylllkelqmkdsasylcavkdsnyqliwgagtkliikpdiqnpdpavyq
    lrdskssdksvclftdfdsqtnvsqskdsdvyitdkcvldmrsmdfksnsavawsnksdf
    acanafnnsiipedtffpspess
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nqcD (D:)
    qnidqptemtategaivqinctyqtsgfnglfwyqqhageaptflsynvldgleekgrfs
    sflsrskgysylllkelqmkdsasylcavkdsnyqliwgagtkliikpdiqnpdpavyql
    rvclftdfdsqtnvsqskdsdvyitdkcvldmrsmdfksnsavawsnacanafnnsiipe
    dtffp
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4nqcE (E:)
    nagvtqtpkfqvlktgqsmtlqcaqdmnhnsmywyrqdpgmglrliyysasegttdkgev
    pngynvsrlnkrefslrlesaapsqtsvyfcassvwtgegsgelffgegsrltvledlkn
    vfppevavfepseaeishtqkatlvclatgfypdhvelswwvngkevhsgvctdpqplke
    qpalndsryalssrlrvsatfwqnprnhfrcqvqfyglsendewtqdrakpvtqivsaea
    wgrad
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nqcE (E:)
    gvtqtpkfqvlktgqsmtlqcaqdmnhnsmywyrqdpgmglrliyysasegttdkgevpn
    gynvsrlnkrefslrlesaapsqtsvyfcassvwtgegsgelffgegsrltvledlknvf
    ppevavfepseaeishtqkatlvclatgfypdhvelswwvngkevhsgvctdpqplkeqp
    alndsryalssrlrvsatfwqnprnhfrcqvqfyglsendewtqdrakpvtqivsaeawg
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4nqcF (F:)
    iqrtpkiqvysrhpaengksnflncyvsgfhpsdievdllkngeriekvehsdlsfskdw
    sfyllyyteftptekdeyacrvnhvtlsqpkivkwdrdm
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nqcF (F:)
    iqrtpkiqvysrhpaengksnflncyvsgfhpsdievdllkngeriekvehsdlsfskdw
    sfyllyyteftptekdeyacrvnhvtlsqpkivkwdr
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4nqcG (G:)
    gqnidqptemtategaivqinctyqtsgfnglfwyqqhageaptflsynvldgleekgrf
    ssflsrskgysylllkelqmkdsasylcavkdsnyqliwgagtkliikpdiqnpdpavyq
    lrdskssdksvclftdfdsqtnvsqskdsdvyitdkcvldmrsmdfksnsavawsnksdf
    acanafnnsiipedtffpspess
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nqcG (G:)
    qnidqptemtategaivqinctyqtsgfnglfwyqqhageaptflsynvldgleekgrfs
    sflsrskgysylllkelqmkdsasylcavkdsnyqliwgagtkliikpdiqnpdpavyql
    rdskssdksvclftdfdsqtnvsqskdsdvyitdkcvldmrsmdfksnsavawsnksdfa
    canafnnsiipedtffps
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4nqcH (H:)
    nagvtqtpkfqvlktgqsmtlqcaqdmnhnsmywyrqdpgmglrliyysasegttdkgev
    pngynvsrlnkrefslrlesaapsqtsvyfcassvwtgegsgelffgegsrltvledlkn
    vfppevavfepseaeishtqkatlvclatgfypdhvelswwvngkevhsgvctdpqplke
    qpalndsryalssrlrvsatfwqnprnhfrcqvqfyglsendewtqdrakpvtqivsaea
    wgrad
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nqcH (H:)
    nagvtqtpkfqvlktgqsmtlqcaqdmnhnsmywyrqdpgmglrliyysasegttdkgev
    pngynvsrlnkrefslrlesaapsqtsvyfcassvwtgegsgelffgegsrltvledlkn
    vfppevavfepseaeishtqkatlvclatgfypdhvelswwvngkevhsgvctdpqplke
    qpalndsryalssrlrvsatfwqnprnhfrcqvqfyglsendewtqdrakpvtqivsaea
    wgr