5TFXA

New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase
Knot K +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, 257-259 23 3 knot
Chain Sequence
HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 1-23, 257-259 23 3 knot
Fingerprint Knot forming loop Loop type
K +31
Chain closureHis3 <-> Lys261
... His96 <->
Bridging ionZn301
<-> His94 ... His3
probabilistic
K +31 His3 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> His3
probabilistic
K +31 His3 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> His3
probabilistic
Chain Sequence
HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 26-252 227 1-25 258-258 253-257 25 1 slipknot
sequence length 258
structure length 258
publication title Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors.
pubmed doi rcsb
molecule tags Lyase/lyase inhibitor
molecule keywords Carbonic anhydrase 2
source organism Homo sapiens
total genus Genus: 75
ec nomenclature
pdb deposition date 2016-09-26
KnotProt deposition date 2018-10-20
Image from the rcsb pdb (www.rcsb.org)
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