PDB entry 5e2n

View 5e2n on RCSB PDB site
Description: Crystal structure of human carbonic anhydrase isozyme XIII with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Class: lyase
Keywords: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor complex, lyase
Deposited on 2015-10-01, released 2016-10-05
The last revision prior to the SCOPe 2.06 freeze date was dated 2016-10-05, with a file datestamp of 2016-09-30.
Experiment type: XRAY
Resolution: 1.53 Å
R-factor: N/A
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Carbonic anhydrase 13
    Species: Homo sapiens [TaxId:9606]
    Gene: CA13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5e2na_
  • Chain 'B':
    Compound: Carbonic anhydrase 13
    Species: Homo sapiens [TaxId:9606]
    Gene: CA13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5e2nb_
  • Heterogens: ZN, PEG, EDO, V14, CIT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5e2nA (A:)
    mmsrlswgyrehngpihwkeffpiadgdqqspieiktkevkydsslrplsikydpssaki
    isnsghsfnvdfddtenksvlrggpltgsyrlrqvhlhwgsaddhgsehivdgvsyaael
    hvvhwnsdkypsfveaahepdglavlgvflqigepnsqlqkitdtldsikekgkqtrftn
    fdllsllppswdywtypgsltvppllesvtwivlkqpinissqqlakfrsllctaegeaa
    aflvsnhrppqplkgrkvrasfh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5e2nA (A:)
    swgyrehngpihwkeffpiadgdqqspieiktkevkydsslrplsikydpssakiisnsg
    hsfnvdfddtenksvlrggpltgsyrlrqvhlhwgsaddhgsehivdgvsyaaelhvvhw
    nsdkypsfveaahepdglavlgvflqigepnsqlqkitdtldsikekgkqtrftnfdlls
    llppswdywtypgsltvppllesvtwivlkqpinissqqlakfrsllctaegeaaaflvs
    nhrppqplkgrkvrasfh
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5e2nB (B:)
    mmsrlswgyrehngpihwkeffpiadgdqqspieiktkevkydsslrplsikydpssaki
    isnsghsfnvdfddtenksvlrggpltgsyrlrqvhlhwgsaddhgsehivdgvsyaael
    hvvhwnsdkypsfveaahepdglavlgvflqigepnsqlqkitdtldsikekgkqtrftn
    fdllsllppswdywtypgsltvppllesvtwivlkqpinissqqlakfrsllctaegeaa
    aflvsnhrppqplkgrkvrasfh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5e2nB (B:)
    swgyrehngpihwkeffpiadgdqqspieiktkevkydsslrplsikydpssakiisnsg
    hsfnvdfddtenksvlrggpltgsyrlrqvhlhwgsaddhgsehivdgvsyaaelhvvhw
    nsdkypsfveaahepdglavlgvflqigepnsqlqkitdtldsikekgkqtrftnfdlls
    llppswdywtypgsltvppllesvtwivlkqpinissqqlakfrsllctaegeaaaflvs
    nhrppqplkgrkvrasfh