5LL9A

Crystal structure of human carbonic anhydrase isozyme xii with 4-(1h-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
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
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+31 24-256 233 1-23, 257-261 23 5 knot
Chain Sequence
KWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ
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 24-234 211 1-23, 235-239 23 5 knot
Fingerprint Knot forming loop Loop type
K +31
Chain closureLys3 <-> Gln263
... His117 <->
Bridging ionZn301
<-> His93 ... Lys3
probabilistic
K +31
Chain closureLys3 <-> Gln263
... His117 <->
Bridging ionZn301
<-> His91 ... Lys3
probabilistic
K +31
Chain closureLys3 <-> Gln263
... His93 <->
Bridging ionZn301
<-> His91 ... Lys3
probabilistic
Chain Sequence
KWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ
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
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3.1 26-258 233 1-25, 259-261 25 3 knot
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2.1 24-254 231 1-23 259-261 255-258 23 3 slipknot
publication title Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
doi rcsb
structure length 261
molecule tags Lyase
source organism Homo sapiens
sequence length 261
total genus Genus: 74
molecule keywords Carbonic anhydrase 12
ec nomenclature
pdb deposition date 2016-07-27
KnotProt deposition date 2018-10-19
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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