6F3BA

Crystal structure of human carbonic anhydrase i in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea inhibitor
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 23-255 233 1-22, 256-257 22 2 knot
Chain Sequence
DWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
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 23-254 232 255-257 1-1 2-22 1 2 slipknot
Fingerprint Knot forming loop Loop type
K +31 Asp4 ... His94 <->
Bridging ionZn301
<-> His96 ...
Chain closurePhe260 <-> Asp4
probabilistic
K +31 Asp4 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closurePhe260 <-> Asp4
probabilistic
K +31 Asp4 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closurePhe260 <-> Asp4
probabilistic
Chain Sequence
DWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
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 24-252 229 1-23, 253-257 23 5 knot
sequence length 257
structure length 257
publication title Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
pubmed doi rcsb
molecule tags Lyase
molecule keywords Carbonic anhydrase 1
total genus Genus: 74
ec nomenclature
pdb deposition date 2017-11-28
KnotProt deposition date 2018-10-12
Image from the rcsb pdb (www.rcsb.org)
6EVRA 6EX1A 6F3BA 6FAFA 6FAGA 6G3VA 6HWZA 6I0JA 6I0LA
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)
6EVR A; 6EX1 A; 6F3B A; 6FAF A; 6FAG A; 6G3V A; 6HWZ A; 6I0J A; 6I0L 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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