PDB entry 5llp

View 5llp on RCSB PDB site
Description: Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)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 2.07 freeze date was dated 2017-11-29, with a file datestamp of 2017-11-24.
Experiment type: XRAY
Resolution: 1.48 Å
R-factor: N/A
AEROSPACI score: 0.49 (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: d5llpa_
  • 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: d5llpb_
  • 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: d5llpc_
  • 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: d5llpd_
  • Heterogens: ZN, 6Z9, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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