PDB entry 5llo

View 5llo on RCSB PDB site
Description: Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hy-droxyethyl)sulfonyl]benzenesulfonamide
Class: lyase
Keywords: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor comple, lyase
Deposited on 2016-07-28, released 2017-08-16
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-05-16, with a file datestamp of 2018-05-11.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: N/A
AEROSPACI score: 0.44 (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 2.08: d5lloa_
  • Chain 'B':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5llob_
  • Chain 'C':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5lloc_
  • Chain 'D':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5llod_
  • Heterogens: ZN, EDO, 5EF, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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