4KNNA

Crystal structure of human carbonic anhydrase isozyme xiii with 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Genus: 78
Alphaknot: Q8N1Q1
Knot K +31

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Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
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+31 22-255 234 1-21, 256-258 21 3 knot
Chain Sequence
SWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKGRKVRASFH
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

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Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
+ 31 24-232 209 1-23, 233-235 23 3 knot
Fingerprint Knot forming loop Loop type
K +31
Chain closureSer6 <-> His263
... His121 <->
Bridging ionZn301
<-> His96 ... Ser6		 probabilistic
K +31
Chain closureSer6 <-> His263
... His98 <->
Bridging ionZn301
<-> His96 ... Ser6		 probabilistic
K +31
Chain closureSer6 <-> His263
... His121 <->
Bridging ionZn301
<-> His98 ... Ser6		 probabilistic
Chain Sequence
SWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKGRKVRASFH
Whole chain analysis

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Subchain analysis 

Knotoid cutoff: 0.5


Knotoid matrix content: 1


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Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
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3.1 26-257 232 1-25, 258-258 25 1 knot
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2.1 25-252 228 1-24 258-258 253-257 24 1 slipknot
sequence length 258
structure length 258
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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How to cite
KnotProt | Interdisciplinary Laboratory of Biological Systems Modelling