5ULNA

Synthesis of novel seleno ureido containing compounds as slc-0111 analogs. investigations on carbonic anhydrases activity, glutathione peroxidase and x-ray crystallography
Slipknot S +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 25-256 232 1-24, 257-260 24 4 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 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 22-257 236 1-21, 258-260 21 3 knot
Fingerprint Knot forming loop Loop type
K +31
Chain closureSer2 <-> Lys261
... His96 <->
Bridging ionZn301
<-> His94 ... Ser2
probabilistic
K +31
Chain closureSer2 <-> Lys261
... Tyr191 <->
Bridging ionNa305
<-> Lys45 ... Ser2
probabilistic
K +31
Chain closureSer2 <-> Lys261
... His119 <->
Bridging ionZn301
<-> His96 ... Ser2
probabilistic
K +31
Chain closureSer2 <-> Lys261
... His119 <->
Bridging ionZn301
<-> His94 ... 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 28-258 231 1-27, 259-259 27 1 knot
view details
2.1 27-253 227 1-26 259-259 254-258 26 1 slipknot
publication title Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
pubmed doi rcsb
structure length 259
molecule tags Lyase
source organism Homo sapiens
sequence length 259
molecule keywords Carbonic anhydrase 2
ec nomenclature
pdb deposition date 2017-01-25
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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