4Z1EA

Carbonic anhydrase inhibitors: design and synthesis of new heteroaryl-n-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hca vii, hca ix, and hca xiv)
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 23-256 234 1-22, 257-259 22 3 knot
Chain Sequence
SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 24-256 233 1-23, 257-259 23 3 knot
Fingerprint Knot forming loop Loop type
K +31 Ser2 ... His94 <->
Bridging ionZn301
<-> His96 ...
Chain closureLys260 <-> Ser2
probabilistic
K +31
Chain closureSer2 <-> Lys260
... His119 <->
Bridging ionZn301
<-> His96 ... Ser2
probabilistic
K +31 Ser2 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys260 <-> Ser2
probabilistic
Chain Sequence
SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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
3.1 27-258 232 1-26, 259-259 26 1 knot
view details
2.1 27-253 227 1-26 259-259 254-258 26 1 slipknot
sequence length 259
structure length 259
publication title Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
pubmed doi rcsb
molecule tags Lyase
molecule keywords Carbonic anhydrase 2
source organism Homo sapiens
total genus Genus: 74
ec nomenclature ec 4.2.1.1: Carbonic anhydrase.
pdb deposition date 2015-03-27
KnotProt deposition date 2018-10-20

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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