PDB entry 4knn

View 4knn on RCSB PDB site
Description: Crystal structure of human carbonic anhydrase isozyme XIII 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 2013-05-10, released 2013-11-06
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-11-06, with a file datestamp of 2013-11-01.
Experiment type: XRAY
Resolution: 1.4 Å
R-factor: 0.169
AEROSPACI score: 0.61 (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: d4knna_
  • 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: d4knnb_
  • Heterogens: ZN, E1F, CIT, EDO, ACY, PEG, HOH

PDB Chain Sequences:

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

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

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

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