6D1MA

Design, synthesis, and x-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects
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 24-256 233 1-23, 257-260 23 4 knot
Chain Sequence
SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 24-256 233 257-260 1-1 2-23 1 3 slipknot
Fingerprint Knot forming loop Loop type
K +31
Chain closureSer2 <-> Lys261
... His96 <->
Bridging ionZn301
<-> His94 ... Ser2
probabilistic
K +31 Ser2 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> Ser2
probabilistic
K +31 Ser2 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> Ser2
probabilistic
Chain Sequence
SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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
2.1 26-253 228 1-25 259-259 254-258 25 1 slipknot
publication title Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.
pubmed doi rcsb
structure length 259
molecule tags Lyase/lyase inhibitor
source organism Homo sapiens
sequence length 259
total genus Genus: 77
molecule keywords Carbonic anhydrase 2
ec nomenclature
pdb deposition date 2018-04-12
KnotProt deposition date 2018-10-18
Image from the rcsb pdb (www.rcsb.org)
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