6WQ4A

Carbonic anhydrase ii complexed with 2-((2-cyanoethyl)(phenethyl)amino)-n-phenethyl-n-(4-sulfamoylphenethyl)acetamide
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 21-255 235 1-20, 256-258 20 3 knot
Chain Sequence
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 22-254 233 1-21, 255-258 21 4 knot
Fingerprint Knot forming loop Loop type
K +31 His4 ... His94 <->
Bridging ionZn302
<-> His96 ...
Chain closureLys261 <-> His4
probabilistic
K +31 His4 ... His96 <->
Bridging ionZn302
<-> His119 ...
Chain closureLys261 <-> His4
probabilistic
K +31 His4 ... His94 <->
Bridging ionZn302
<-> His119 ...
Chain closureLys261 <-> His4
probabilistic
Chain Sequence
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 26-255 230 1-25, 256-257 25 2 knot
view details
1.1 29-251 223 1-23, 257-257 24-28, 252-256 23 1 slipknot
sequence length 257
structure length 257
publication title Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
pubmed doi rcsb
molecule tags Lyase/lyase inhibitor
molecule keywords Carbonic anhydrase 2
source organism Homo sapiens
total genus Genus: 77
ec nomenclature ec 4.2.1.1: Alcohol dehydrogenase.
pdb deposition date 2020-04-28
KnotProt deposition date 2020-08-06

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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