5JQ0A

Crystal structure of human carbonic anhydrase ii in complex with benzoxaborole at ph=8.7
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 24-255 232 1-23, 256-258 23 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 22-254 233 255-258 1-1 2-21 1 3 slipknot
Fingerprint Knot forming loop Loop type
K +31 His4 ... His94 <->
Bridging ionZn301
<-> His96 ...
Chain closureLys261 <-> His4
probabilistic
K +31 His4 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> His4
probabilistic
K +31 His4 ... His94 <->
Bridging ionZn301
<-> 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 26-256 231 1-25, 257-257 25 1 knot
view details
2.1 25-251 227 1-24 257-257 252-256 24 1 slipknot
sequence length 257
structure length 257
publication title Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
pubmed doi rcsb
molecule tags Lyase
molecule keywords Carbonic anhydrase 2
source organism Homo sapiens
total genus Genus: 79
ec nomenclature
pdb deposition date 2016-05-04
KnotProt deposition date 2018-10-19
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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