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 2.06 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 2.06: d4qsja_ - Chain 'B':
Compound: Carbonic anhydrase 13
Species: Homo sapiens [TaxId:9606]
Gene: CA13
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.06: 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