PDB entry 7k4q

View 7k4q on RCSB PDB site
Description: Crystal structure of Kemp Eliminase HG3 in complex with the transition state analog 6-nitrobenzotriazole
Class: hydrolase
Keywords: kemp elimination, directed evolution, HYDROLASE
Deposited on 2020-09-16, released 2020-12-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-12-30, with a file datestamp of 2020-12-25.
Experiment type: XRAY
Resolution: 1.28 Å
R-factor: N/A
AEROSPACI score: 0.68 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: endo-1,4-beta-xylanase
    Species: THERMOASCUS AURANTIACUS [TaxId:5087]
    Gene: xynA
    Database cross-references and differences (RAF-indexed):
    • Uniprot P23360 (Start-307)
      • conflict (46)
      • conflict (48)
      • conflict (85)
      • conflict (87-88)
      • conflict (134)
      • conflict (176)
      • conflict (238)
      • conflict (240-241)
      • conflict (271)
    Domains in SCOPe 2.08: d7k4qa_
  • Chain 'B':
    Compound: endo-1,4-beta-xylanase
    Species: THERMOASCUS AURANTIACUS [TaxId:5087]
    Gene: xynA
    Database cross-references and differences (RAF-indexed):
    • Uniprot P23360 (Start-307)
      • conflict (46)
      • conflict (48)
      • conflict (85)
      • conflict (87-88)
      • conflict (134)
      • conflict (176)
      • conflict (238)
      • conflict (240-241)
      • conflict (271)
    Domains in SCOPe 2.08: d7k4qb_
  • Heterogens: 6NT, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7k4qA (A:)
gsgmaeaaqsvdqlikargkvyfgvatdqnrlttgknaaiiqadfgmvwpensmkwdate
psqgnfnfagadylvnwaqqngkligggmlvwhsqlpswvssitdkntltnvmknhittl
mtrykgkirawdvvgeafnedgslrqtvflnvigedyipiafqtaraadpnaklyimdyn
ldsasypktqaivnrvkqwraagvpidgigsqthlsagqgagvlqalpllasagtpevsi
lmldvagasptdyvnvvnaclnvqscvgitvfgvadpdswrasttpllfdgnfnpkpayn
aivqdlqq

    Sequence, based on observed residues (ATOM records): (download) 
    >7k4qA (A:)
qsvdqlikargkvyfgvatdqnrlttgknaaiiqadfgmvwpensmkwdatepsqgnfnf
agadylvnwaqqngkligggmlvwhsqlpswvssitdkntltnvmknhittlmtrykgki
rawdvvgeafnedgslrqtvflnvigedyipiafqtaraadpnaklyimdynldsasypk
tqaivnrvkqwraagvpidgigsqthlsagqgagvlqalpllasagtpevsilmldvaga
sptdyvnvvnaclnvqscvgitvfgvadpdswttpllfdgnfnpkpaynaivqdlqq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7k4qB (B:)
gsgmaeaaqsvdqlikargkvyfgvatdqnrlttgknaaiiqadfgmvwpensmkwdate
psqgnfnfagadylvnwaqqngkligggmlvwhsqlpswvssitdkntltnvmknhittl
mtrykgkirawdvvgeafnedgslrqtvflnvigedyipiafqtaraadpnaklyimdyn
ldsasypktqaivnrvkqwraagvpidgigsqthlsagqgagvlqalpllasagtpevsi
lmldvagasptdyvnvvnaclnvqscvgitvfgvadpdswrasttpllfdgnfnpkpayn
aivqdlqq

    Sequence, based on observed residues (ATOM records): (download) 
    >7k4qB (B:)
qsvdqlikargkvyfgvatdqnrlttgknaaiiqadfgmvwpensmkwdatepsqgnfnf
agadylvnwaqqngkligggmlvwhsqlpswvssitdkntltnvmknhittlmtrykgki
rawdvvgeafnedgslrqtvflnvigedyipiafqtaraadpnaklyimdynldsasypk
tqaivnrvkqwraagvpidgigsqthlsagqgagvlqalpllasagtpevsilmldvaga
sptdyvnvvnaclnvqscvgitvfgvadpdswrasttpllfdgnfnpkpaynaivqdlqq