PDB entry 4qsj

View 4qsj on RCSB PDB site
Description: Crystal structure of human carbonic anhydrase isozyme XIII with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
Class: lyase/lyase inhibitor
Keywords: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor complex
Deposited on 2014-07-04, released 2015-01-21
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-01-21, with a file datestamp of 2015-01-16.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.168
AEROSPACI score: 0.48 (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 2.07: d4qsja_
  • Chain 'B':
    Compound: Carbonic anhydrase 13
    Species: Homo sapiens [TaxId:9606]
    Gene: CA13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qsjb_
  • Heterogens: ZN, EWW, PEG, DMS, CIT, EDO, NI, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4qsjA (A:)
    mmsrlswgyrehngpihwkeffpiadgdqqspieiktkevkydsslrplsikydpssaki
    isnsghsfnvdfddtenksvlrggpltgsyrlrqvhlhwgsaddhgsehivdgvsyaael
    hvvhwnsdkypsfveaahepdglavlgvflqigepnsqlqkitdtldsikekgkqtrftn
    fdllsllppswdywtypgsltvppllesvtwivlkqpinissqqlakfrsllctaegeaa
    aflvsnhrppqplkgrkvrasfh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qsjA (A:)
    rlswgyrehngpihwkeffpiadgdqqspieiktkevkydsslrplsikydpssakiisn
    sghsfnvdfddtenksvlrggpltgsyrlrqvhlhwgsaddhgsehivdgvsyaaelhvv
    hwnsdkypsfveaahepdglavlgvflqigepnsqlqkitdtldsikekgkqtrftnfdl
    lsllppswdywtypgsltvppllesvtwivlkqpinissqqlakfrsllctaegeaaafl
    vsnhrppqplkgrkvrasfh
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4qsjB (B:)
    mmsrlswgyrehngpihwkeffpiadgdqqspieiktkevkydsslrplsikydpssaki
    isnsghsfnvdfddtenksvlrggpltgsyrlrqvhlhwgsaddhgsehivdgvsyaael
    hvvhwnsdkypsfveaahepdglavlgvflqigepnsqlqkitdtldsikekgkqtrftn
    fdllsllppswdywtypgsltvppllesvtwivlkqpinissqqlakfrsllctaegeaa
    aflvsnhrppqplkgrkvrasfh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qsjB (B:)
    swgyrehngpihwkeffpiadgdqqspieiktkevkydsslrplsikydpssakiisnsg
    hsfnvdfddtenksvlrggpltgsyrlrqvhlhwgsaddhgsehivdgvsyaaelhvvhw
    nsdkypsfveaahepdglavlgvflqigepnsqlqkitdtldsikekgkqtrftnfdlls
    llppswdywtypgsltvppllesvtwivlkqpinissqqlakfrsllctaegeaaaflvs
    nhrppqplkgrkvrasfh