PDB entry 5doh

View 5doh on RCSB PDB site
Description: Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Class: lyase
Keywords: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor complex, lyase
Deposited on 2015-09-11, released 2016-09-28
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-02-01, with a file datestamp of 2017-01-26.
Experiment type: XRAY
Resolution: 1.05 Å
R-factor: N/A
AEROSPACI score: 0.77 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Carbonic anhydrase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: CA2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5doha_
  • Chain 'B':
    Compound: Carbonic anhydrase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: CA2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5dohb_
  • Heterogens: ZN, BCN, DMS, 5DU, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5dohA (A:)
    mshhwgygkhngpehwhkdfpiakgerqspvdidthtakydpslkplsvsydqatslril
    nnghafnvefddsqdkavlkggpldgtyrliqfhfhwgsldgqgsehtvdkkkyaaelhl
    vhwntkygdfgkavqqpdglavlgiflkvgsakpglqkvvdvldsiktkgksadftnfdp
    rgllpesldywtypgslttppllecvtwivlkepisvsseqvlkfrklnfngegepeelm
    vdnwrpaqplknrqikasfk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5dohA (A:)
    hhwgygkhngpehwhkdfpiakgerqspvdidthtakydpslkplsvsydqatslrilnn
    ghafnvefddsqdkavlkggpldgtyrliqfhfhwgsldgqgsehtvdkkkyaaelhlvh
    wntkygdfgkavqqpdglavlgiflkvgsakpglqkvvdvldsiktkgksadftnfdprg
    llpesldywtypgslttppllecvtwivlkepisvsseqvlkfrklnfngegepeelmvd
    nwrpaqplknrqikasfk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5dohB (B:)
    mshhwgygkhngpehwhkdfpiakgerqspvdidthtakydpslkplsvsydqatslril
    nnghafnvefddsqdkavlkggpldgtyrliqfhfhwgsldgqgsehtvdkkkyaaelhl
    vhwntkygdfgkavqqpdglavlgiflkvgsakpglqkvvdvldsiktkgksadftnfdp
    rgllpesldywtypgslttppllecvtwivlkepisvsseqvlkfrklnfngegepeelm
    vdnwrpaqplknrqikasfk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5dohB (B:)
    hhwgygkhngpehwhkdfpiakgerqspvdidthtakydpslkplsvsydqatslrilnn
    ghafnvefddsqdkavlkggpldgtyrliqfhfhwgsldgqgsehtvdkkkyaaelhlvh
    wntkygdfgkavqqpdglavlgiflkvgsakpglqkvvdvldsiktkgksadftnfdprg
    llpesldywtypgslttppllecvtwivlkepisvsseqvlkfrklnfngegepeelmvd
    nwrpaqplknrqikasfk