6ZR9A

The crystal structure of the complex of hcavii with 2-(4-benzhydrylpiperazin-1-yl)-n-(4-sulfamoylphenyl)acetamide
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 22-254 233 1-21, 255-258 21 4 knot
Chain Sequence
WGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKSLLPASRHYWTYPGSLTTPPLSESVTWIVLREPISISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRA
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 4x +31
Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
+ 31 23-232 210 1-22, 233-236 22 4 knot
Fingerprint Knot forming loop Loop type
K +31 Trp5 ... His96 <-> His119 ...
Chain closureAla262 <-> Trp5
probabilistic
K +31
Chain closureTrp5 <-> Ala262
... Cys178 <-> Cys54 ... Trp5
probabilistic
K +31 Trp5 ... His94 <-> His119 ...
Chain closureAla262 <-> Trp5
probabilistic
K +31 Trp5 ... His94 <-> His96 ...
Chain closureAla262 <-> Trp5
probabilistic
Chain Sequence
WGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKSLLPASRHYWTYPGSLTTPPLSESVTWIVLREPISISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRA
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 1-23 257-258 252-256 23 2 slipknot
sequence length 258
structure length 258
publication title The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
doi rcsb
molecule tags Lyase
molecule keywords Carbonic anhydrase 7
source organism Homo sapiens
total genus Genus: 75
ec nomenclature ec 4.2.1.1: Carbonic anhydrase.
pdb deposition date 2020-07-11
KnotProt deposition date 2021-06-23

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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