5THNA

Crystal structure of 2-hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2
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 2 slipknot
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 7x +31
Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
+ 31 24-254 231 255-258 1-1 2-23 1 3 slipknot
Fingerprint Knot forming loop Loop type
K +31 His4 ... Val135 <->
Bridging ionMbo302
<-> Gln137 ...
Chain closureLys261 <-> His4
probabilistic
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
K +31 His4 ... His94 <->
Bridging ionZn301
<-> His96 ... Val135 <->
Bridging ionMbo302
<-> Gln137 ...
Chain closureLys261 <-> His4
probabilistic
K +31 His4 ... His96 <->
Bridging ionZn301
<-> His119 ... Val135 <->
Bridging ionMbo302
<-> Gln137 ...
Chain closureLys261 <-> His4
probabilistic
K +31 His4 ... His94 <->
Bridging ionZn301
<-> His119 ... Val135 <->
Bridging ionMbo302
<-> Gln137 ...
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 23-256 234 1-22, 257-257 22 1 knot
view details
2.1 24-251 228 1-23 257-257 252-256 23 1 slipknot
view details
3.1 25-255 231 256-257 1-22 23-24 22 1 slipknot
publication title Effect of donor atom identity on metal-binding pharmacophore coordination.
pubmed doi rcsb
structure length 257
molecule tags Lyase/lyase inhibitor
source organism Homo sapiens
sequence length 257
total genus Genus: 77
molecule keywords Carbonic anhydrase 2
ec nomenclature
pdb deposition date 2016-09-29
KnotProt deposition date 2018-10-17
Image from the rcsb pdb (www.rcsb.org)
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similar chains in the pdb database (?% sequence similarity)

 
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