6I0JA

Crystal structure of human carbonic anhydrase i in complex with the 4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl sulfamate inhibitor
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 26-254 229 1-25, 255-257 25 3 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 22-254 233 1-21, 255-257 21 3 knot
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 New classes of carbonic anhydrase inhibitors
rcsb
molecule tags Lyase
molecule keywords Carbonic anhydrase 1
total genus Genus: 77
ec nomenclature ec 4.2.1.1: Alcohol dehydrogenase.
pdb deposition date 2018-10-26
KnotProt deposition date 2019-11-27

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)
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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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