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 2.05 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 2.05: d4knna_ - Chain 'B':
Compound: Carbonic anhydrase 13
Species: Homo sapiens [TaxId:9606]
Gene: CA13
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.05: 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