PDB entry 5msa

View 5msa on RCSB PDB site
Description: Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Class: lyase
Keywords: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor complex, Lyase
Deposited on 2017-01-02, released 2018-01-17
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-01-17, with a file datestamp of 2018-01-12.
Experiment type: XRAY
Resolution: 1.2 Å
R-factor: N/A
AEROSPACI score: 0.65 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5msaa_
  • Chain 'B':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5msab_
  • Chain 'C':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5msac_
  • Chain 'D':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5msad_
  • Heterogens: ZN, 3TV, EDO, PEG, CIT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5msaA (A:)
mskwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfl
ltnnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivh
ynsdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnie
ellpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpspr
eminnfrqvqkfderlvytsfsq

    Sequence, based on observed residues (ATOM records): (download) 
    >5msaA (A:)
kwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfllt
nnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivhyn
sdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnieel
lpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpsprem
innfrqvqkfderlvytsfsq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5msaB (B:)
mskwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfl
ltnnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivh
ynsdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnie
ellpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpspr
eminnfrqvqkfderlvytsfsq

    Sequence, based on observed residues (ATOM records): (download) 
    >5msaB (B:)
kwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfllt
nnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivhyn
sdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnieel
lpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpsprem
innfrqvqkfderlvytsfsq

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5msaC (C:)
mskwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfl
ltnnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivh
ynsdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnie
ellpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpspr
eminnfrqvqkfderlvytsfsq

    Sequence, based on observed residues (ATOM records): (download) 
    >5msaC (C:)
skwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfll
tnnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivhy
nsdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfniee
llpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpspre
minnfrqvqkfderlvytsfsq

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5msaD (D:)
mskwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfl
ltnnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivh
ynsdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnie
ellpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpspr
eminnfrqvqkfderlvytsfsq

    Sequence, based on observed residues (ATOM records): (download) 
    >5msaD (D:)
kwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfllt
nnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivhyn
sdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnieel
lpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpsprem
innfrqvqkfderlvytsfsq