5G0CA

An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of psammaplin c
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 25-255 231 1-24, 256-259 24 4 knot
Chain Sequence
HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFKVNFDDSQDKAVLKGGPLDGTYRLTQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDASKASQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLNETVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 25-255 231 1-24, 256-259 24 4 knot
Fingerprint Knot forming loop Loop type
K +31
Chain closureHis3 <-> Lys261
... His96 <->
Bridging ionZn312
<-> His94 ... His3
probabilistic
K +31 His3 ... His96 <->
Bridging ionZn312
<-> His119 ...
Chain closureLys261 <-> His3
probabilistic
K +31 His3 ... His94 <->
Bridging ionZn312
<-> His119 ...
Chain closureLys261 <-> His3
probabilistic
Chain Sequence
HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFKVNFDDSQDKAVLKGGPLDGTYRLTQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDASKASQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLNETVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 25-257 233 1-24, 258-258 24 1 knot
view details
2.1 25-252 228 1-24 258-258 253-257 24 1 slipknot
view details
3.1 26-256 231 257-258 1-24 25-25 24 1 slipknot
publication title An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
pubmed doi rcsb
structure length 258
molecule tags Lyase
source organism Homo sapiens
sequence length 258
total genus Genus: 82
molecule keywords CARBONIC ANHYDRASE 2
ec nomenclature
pdb deposition date 2016-03-17
KnotProt deposition date 2018-10-18
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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