PDB entry 5k0s

View 5k0s on RCSB PDB site
Description: Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1312
Class: ligase/ligase inhibitor
Keywords: SSGCID, MetRS, methionyl-tRNA synthetase, protein biosynthesis, Structural Genomics, Seattle Structural Genomics Center for Infectious Disease, LIGASE, ligase-ligase inhibitor complex
Deposited on 2016-05-17, released 2016-05-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-08-17, with a file datestamp of 2016-08-12.
Experiment type: XRAY
Resolution: 2.45 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Methionine--tRNA ligase
    Species: Brucella suis biovar 1 (strain 1330) [TaxId:204722]
    Gene: metG, BR0995, BS1330_I0991
    Database cross-references and differences (RAF-indexed):
    • Uniprot P59078
      • conflict (90)
    Domains in SCOPe 2.07: d5k0sa1, d5k0sa2
  • Chain 'B':
    Compound: Methionine--tRNA ligase
    Species: Brucella suis biovar 1 (strain 1330) [TaxId:204722]
    Gene: metG, BR0995, BS1330_I0991
    Database cross-references and differences (RAF-indexed):
    • Uniprot P59078
      • conflict (90)
    Domains in SCOPe 2.07: d5k0sb1, d5k0sb2
  • Chain 'C':
    Compound: Methionine--tRNA ligase
    Species: Brucella suis biovar 1 (strain 1330) [TaxId:204722]
    Gene: metG, BR0995, BS1330_I0991
    Database cross-references and differences (RAF-indexed):
    • Uniprot P59078
      • conflict (90)
    Domains in SCOPe 2.07: d5k0sc1, d5k0sc2
  • Heterogens: 0OU, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5k0sA (A:)
mahhhhhhmgtleaqtqgpgsmsrekyyittaiaypngkphighayeliatdamarfqrl
ngmdvyfltgtdehgikmlqsarkegitprdladrntsafrrmaevlnssnddyirtsee
rhykasqaiwqamvangdiykggyagwysvrdeayygeeetevradgvrygpqgtpvewv
eeesyffrlsayqdklldlyennpgfimpaerrneivsfvksglkdlsisrttfdwgipv
pgdekhvmyvwvdaltnyitalgypdttderwaywpanahiigkdisrfhavywpaflms
aqlplpkrvfahgflfnrgekmsksvgnvidpfelverygldqlryflmrevpfgqdgsy
sheaivnrtnadlandlgnlaqrslsmiakncegkvpqpgafseadkaildqadaaleta
rkamddqalhlalgaifavvaeanryfagqepwalrktdparmgtvlyvtaevlrrvgim
vqpfipqsaeklldilavpadkrqfadvlasplaggtdlpapqpvfpryveadeqn

    Sequence, based on observed residues (ATOM records): (download) 
    >5k0sA (A:)
rekyyittaiaypngkphighayeliatdamarfqrlngmdvyfltgtdehgikmlqsar
kegitprdladrntsafrrmaevlnssnddyirtseerhykasqaiwqamvangdiykgg
yagwysvrdeayygeeetevradgvrygpqgtpvewveeesyffrlsayqdklldlyenn
pgfimpaerrneivsfvksglkdlsisrttfdwgipvpgdekhvmyvwvdaltnyitalg
ypdttderwaywpanahiigkdisrfhavywpaflmsaqlplpkrvfahgflfnridpfe
lverygldqlryflmrevpfgqdgsysheaivnrtnadlandlgnlaqrslsmiaknceg
kvpqpgafseadkaildqadaaletarkamddqalhlalgaifavvaeanryfagqepwa
lrktdparmgtvlyvtaevlrrvgimvqpfipqsaeklldilavpadkrqfadvlaspla
ggtdlpapqpvfpryv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5k0sB (B:)
mahhhhhhmgtleaqtqgpgsmsrekyyittaiaypngkphighayeliatdamarfqrl
ngmdvyfltgtdehgikmlqsarkegitprdladrntsafrrmaevlnssnddyirtsee
rhykasqaiwqamvangdiykggyagwysvrdeayygeeetevradgvrygpqgtpvewv
eeesyffrlsayqdklldlyennpgfimpaerrneivsfvksglkdlsisrttfdwgipv
pgdekhvmyvwvdaltnyitalgypdttderwaywpanahiigkdisrfhavywpaflms
aqlplpkrvfahgflfnrgekmsksvgnvidpfelverygldqlryflmrevpfgqdgsy
sheaivnrtnadlandlgnlaqrslsmiakncegkvpqpgafseadkaildqadaaleta
rkamddqalhlalgaifavvaeanryfagqepwalrktdparmgtvlyvtaevlrrvgim
vqpfipqsaeklldilavpadkrqfadvlasplaggtdlpapqpvfpryveadeqn

    Sequence, based on observed residues (ATOM records): (download) 
    >5k0sB (B:)
rekyyittaiaypngkphighayeliatdamarfqrlngmdvyfltgtdehgikmlqsar
kegitprdladrntsafrrmaevlnssnddyirtseerhykasqaiwqamvangdiykgg
yagwysvrdeayygeeerygptpvewveeesyffrlsayqdklldlyennpgfimpaerr
neivsfvksglkdlsisrttfdwgipvpgdekhvmyvwvdaltnyitalgypdttderwa
ywpanahiigkdisrfhavywpaflmsaqlplpkrvfahgflfidpfelverygldqlry
flmrevpfgqdgsysheaivnrtnadlandlgnlaqrslsmiakncegkvpqpgafsead
kaildqadaaletarkamddqalhlalgaifavvaeanryfagqepwalrktdparmgtv
lyvtaevlrrvgimvqpfipqsaeklldilavpadkrqfadvlasplaggtdlpapqpvf
pryve

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5k0sC (C:)
mahhhhhhmgtleaqtqgpgsmsrekyyittaiaypngkphighayeliatdamarfqrl
ngmdvyfltgtdehgikmlqsarkegitprdladrntsafrrmaevlnssnddyirtsee
rhykasqaiwqamvangdiykggyagwysvrdeayygeeetevradgvrygpqgtpvewv
eeesyffrlsayqdklldlyennpgfimpaerrneivsfvksglkdlsisrttfdwgipv
pgdekhvmyvwvdaltnyitalgypdttderwaywpanahiigkdisrfhavywpaflms
aqlplpkrvfahgflfnrgekmsksvgnvidpfelverygldqlryflmrevpfgqdgsy
sheaivnrtnadlandlgnlaqrslsmiakncegkvpqpgafseadkaildqadaaleta
rkamddqalhlalgaifavvaeanryfagqepwalrktdparmgtvlyvtaevlrrvgim
vqpfipqsaeklldilavpadkrqfadvlasplaggtdlpapqpvfpryveadeqn

    Sequence, based on observed residues (ATOM records): (download) 
    >5k0sC (C:)
rekyyittaiaypngkphighayeliatdamarfqrlngmdvyfltgtdehgikmlqsar
kegitprdladrntsafrrmaevlnssnddyirtseerhykasqaiwqamvangdiykgg
yagwysvrdeayygeeetevradgvrygpqgtpvewveeesyffrlsayqdklldlyenn
pgfimpaerrneivsfvksglkdlsisrttfdwgipvpgdekhvmyvwvdaltnyitalg
ypdttderwaywpanahiigkdisrfhavywpaflmsaqlplpkrvfahgflfnridpfe
lverygldqlryflmrevpfgqdgsysheaivnrtnadlandlgnlaqrslsmiaknceg
kvpqpgafseadkaildqadaaletarkamddqalhlalgaifavvaeanryfagqepwa
lrktdparmgtvlyvtaevlrrvgimvqpfipqsaeklldilavpadkrqfadvlaspla
ggtdlpapqpvfpryve