6T7UA

Carborane inhibitor of carbonic anhydrase ix
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 23-253 231 1-22, 254-257 22 3 slipknot
Chain Sequence
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVVFDDSQDKAVLKGGPLDGTYRLLQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDVGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTEGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLAECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 24-253 230 1-23, 254-257 23 4 knot
Fingerprint Knot forming loop Loop type
K +31 His4 ... His94 <->
Bridging ionZn301
<-> His96 ...
Chain closureLys260 <-> His4
probabilistic
K +31 His4 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys260 <-> His4
probabilistic
K +31 His4 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys260 <-> His4
probabilistic
Chain Sequence
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVVFDDSQDKAVLKGGPLDGTYRLLQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDVGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTEGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLAECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 24-251 228 1-23 257-257 252-256 23 1 slipknot
view details
1.1 29-251 223 1-23, 256-257 24-28, 252-255 23 2 slipknot
sequence length 257
structure length 257
publication title Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX.
pubmed doi rcsb
molecule tags Lyase
molecule keywords Carbonic anhydrase 2
source organism Homo sapiens
total genus Genus: 80
ec nomenclature ec 4.2.1.1: Alcohol dehydrogenase.
pdb deposition date 2019-10-23
KnotProt deposition date 2020-08-05

pfam database annotations

chain Pfam Accession Code Pfam Family Identifier Pfam Description
A PF00194 Carb_anhydrase Eukaryotic-type carbonic anhydrase
Image from the rcsb pdb (www.rcsb.org)
4R59A 4R5AA 4RIUA 4RIVA 4ZAOA 6FJIA 6FJJA 6GCYA 6T9ZA
similar chains in the KnotProt database (40% sequence similarity)
None
similar chains in the pdb database (40% sequence similarity)

 
#similar chains in the KnotProt database (40% sequence similarity)
4R59 A; 4R5A A; 4RIU A; 4RIV A; 4ZAO A; 6FJI A; 6FJJ A; 6GCY A; 6T9Z A; 
#similar chains, but unknotted

#similar chains in the pdb database (40% sequence similarity)


KnotProt | Interdisciplinary Laboratory of Biological Systems Modelling
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