4CQ0A

Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes
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 25-253 229 1-24, 254-257 24 4 knot
Chain Sequence
WGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 23-254 232 255-257 1-1 2-22 1 2 slipknot
Fingerprint Knot forming loop Loop type
K +31 Trp5 ... His94 <->
Bridging ionZn1262
<-> His96 ...
Chain closureLys261 <-> Trp5
probabilistic
K +31 Trp5 ... His96 <->
Bridging ionZn1262
<-> His119 ...
Chain closureLys261 <-> Trp5
probabilistic
K +31 Trp5 ... His94 <->
Bridging ionZn1262
<-> His119 ...
Chain closureLys261 <-> Trp5
probabilistic
Chain Sequence
WGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 25-254 230 1-24, 255-256 24 2 knot
view details
2.1 23-250 228 1-22 256-256 251-255 22 1 slipknot
publication title Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes.
pubmed doi rcsb
structure length 256
molecule tags Lyase
source organism Homo sapiens
sequence length 256
molecule keywords CARBONIC ANHYDRASE 2
ec nomenclature ec 4.2.1.1: Carbonate dehydratase.
pdb deposition date 2014-02-10
KnotProt deposition date 2018-10-18

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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