4KNMA

Crystal structure of human carbonic anhydrase isozyme xiii with 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Slipknot S +31
Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
view details
+31 25-255 231 1-24, 256-259 24 3 slipknot
Chain Sequence
LSWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKGRKVRASFH
Note, that the numbers in the matrix denote the consecutive residues in the loop, not the index of amino acids in the chain!
Knot K 3x +31
Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
+ 31 27-233 207 1-26, 234-236 26 2 slipknot
Fingerprint Knot forming loop Loop type
K +31 Leu5 ... His96 <->
Bridging ionZn301
<-> His121 ...
Chain closureHis263 <-> Leu5
probabilistic
K +31 Leu5 ... His96 <->
Bridging ionZn301
<-> His98 ...
Chain closureHis263 <-> Leu5
probabilistic
K +31 Leu5 ... His98 <->
Bridging ionZn301
<-> His121 ...
Chain closureHis263 <-> Leu5
probabilistic
Chain Sequence
LSWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKGRKVRASFH
Whole chain analysis
Subchain analysis 

Knotoid cutoff: 0.5


Knotoid matrix content: 1

Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
view details
3.1 27-257 231 1-26, 258-259 26 2 knot
view details
2.1 25-253 229 1-24 259-259 254-258 24 1 slipknot
sequence length 259
structure length 259
publication title Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
pubmed doi rcsb
molecule tags Lyase/lyase inhibitor
molecule keywords Carbonic anhydrase 13
source organism Homo sapiens
total genus Genus: 78
ec nomenclature ec 4.2.1.1: Carbonate dehydratase.
pdb deposition date 2013-05-10
KnotProt deposition date 2018-10-17

pfam database annotations

chain Pfam Accession Code Pfam Family Identifier Pfam Description
A PF00194 Carb_anhydrase Eukaryotic-type carbonic anhydrase
Image from the rcsb pdb (www.rcsb.org)
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similar chains in the KnotProt database (?% sequence similarity)
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similar chains in the pdb database (?% sequence similarity)

 
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