PDB entry 4kp5

View 4kp5 on RCSB PDB site
Description: Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Class: lyase/lyase inhibitor
Keywords: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, LYASE-LYASE INHIBITOR complex
Deposited on 2013-05-13, released 2013-11-06
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-11-06, with a file datestamp of 2013-11-01.
Experiment type: XRAY
Resolution: 1.45 Å
R-factor: 0.181
AEROSPACI score: 0.57 (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 2.03: d4kp5a_
  • Chain 'B':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4kp5b_
  • Chain 'C':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4kp5c_
  • Chain 'D':
    Compound: Carbonic anhydrase 12
    Species: Homo sapiens [TaxId:9606]
    Gene: CA12
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4kp5d_
  • Heterogens: ZN, E1F, EDO, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4kp5A (A:)
    mskwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfl
    ltnnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivh
    ynsdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnie
    ellpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpspr
    eminnfrqvqkfderlvytsfsq
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kp5A (A:)
    kwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfllt
    nnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivhyn
    sdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnieel
    lpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpsprem
    innfrqvqkfderlvytsfsq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4kp5B (B:)
    mskwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfl
    ltnnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivh
    ynsdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnie
    ellpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpspr
    eminnfrqvqkfderlvytsfsq
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kp5B (B:)
    kwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfllt
    nnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivhyn
    sdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnieel
    lpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpsprem
    innfrqvqkfderlvytsfsq
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4kp5C (C:)
    mskwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfl
    ltnnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivh
    ynsdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnie
    ellpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpspr
    eminnfrqvqkfderlvytsfsq
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kp5C (C:)
    kwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfllt
    nnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivhyn
    sdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnieel
    lpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpsprem
    innfrqvqkfderlvytsfs
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4kp5D (D:)
    mskwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfl
    ltnnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivh
    ynsdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnie
    ellpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpspr
    eminnfrqvqkfderlvytsfsq
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kp5D (D:)
    kwtyfgpdgenswskkypscggllqspidlhsdilqydasltplefqgynlsankqfllt
    nnghsvklnlpsdmhiqglqsrysatqlhlhwgnpndphgsehtvsgqhfaaelhivhyn
    sdlypdastasnkseglavlavliemgsfnpsydkifshlqhvkykgqeafvpgfnieel
    lpertaeyyryrgslttppcnptvlwtvfrnpvqisqeqllaletalycthmddpsprem
    innfrqvqkfderlvytsfs