3S75B

The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
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 22-256 235 1-21, 257-258 21 2 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 27-255 229 256-258 1-2 3-26 2 2 slipknot
Fingerprint Knot forming loop Loop type
K +31
Chain closureHis4 <-> Lys261
... His96 <->
Bridging ionZn262
<-> His94 ... His4
probabilistic
K +31
Chain closureHis4 <-> Lys261
... His119 <->
Bridging ionZn262
<-> His94 ... His4
probabilistic
K +31
Chain closureHis4 <-> Lys261
... His119 <->
Bridging ionZn262
<-> His96 ... 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 24-256 233 1-23, 257-257 23 1 knot
view details
2.1 24-251 228 1-23 257-257 252-256 23 1 slipknot
sequence length 257
structure length 257
publication title Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
pubmed doi rcsb
molecule tags Lyase
molecule keywords Carbonic anhydrase 2
source organism Homo sapiens
total genus Genus: 73
ec nomenclature ec 4.2.1.1: Carbonate dehydratase.
pdb deposition date 2011-05-26
KnotProt deposition date 2018-10-20

pfam database annotations

chain Pfam Accession Code Pfam Family Identifier Pfam Description
B PF00194 Carb_anhydrase Eukaryotic-type carbonic anhydrase
Image from the rcsb pdb (www.rcsb.org)
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