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
publication title Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
pubmed doi rcsb
structure length 259
molecule tags Lyase/lyase inhibitor
source organism Homo sapiens
sequence length 259
molecule keywords Carbonic anhydrase 13
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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KnotProt | Interdisciplinary Laboratory of Biological Systems Modelling