3S8XA

Crystal structure of human carbonic anhydrase isozyme ii with 4-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
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 28-255 228 1-27, 256-258 27 3 knot
Chain Sequence
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 22-255 234 1-21, 256-258 21 3 knot
Fingerprint Knot forming loop Loop type
K +31 His4 ... His94 <->
Bridging ionZn262
<-> His96 ...
Chain closureLys261 <-> His4
probabilistic
K +31 His4 ... His96 <->
Bridging ionZn262
<-> His119 ...
Chain closureLys261 <-> His4
probabilistic
K +31 His4 ... His94 <->
Bridging ionZn262
<-> His119 ...
Chain closureLys261 <-> His4
probabilistic
Chain Sequence
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 26-255 230 1-25, 256-257 25 2 knot
view details
2.1 24-251 228 1-23 257-257 252-256 23 1 slipknot
sequence length 257
structure length 257
publication title Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
pubmed doi rcsb
molecule tags Lyase/lyase inhibitor
molecule keywords Carbonic anhydrase 2
source organism Homo sapiens
total genus Genus: 79
ec nomenclature ec 4.2.1.1: Carbonate dehydratase.
pdb deposition date 2011-05-31
KnotProt deposition date 2018-10-17

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)
...loading similar chains, please wait...
similar chains in the KnotProt database (?% sequence similarity)
...loading similar chains, please wait...
similar chains in the pdb database (?% sequence similarity)

 
#similar chains in the KnotProt database (?% sequence similarity)
...loading similar chains, please wait...
#similar chains, but unknotted
...loading similar chains, please wait...
#similar chains in the pdb database (?% sequence similarity)
...loading similar chains, please wait...

KnotProt | Interdisciplinary Laboratory of Biological Systems Modelling