5FDIA

Crystal structure of human carbonic anhydrase ii with the anticonvulsant sulfamide jnj-26990990 and its s,s-dioxide analog.
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, 257-259 24 3 knot
Chain Sequence
HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 7x +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 His3 ... His94 <->
Bridging ionZn301
<-> His96 ...
Chain closureLys261 <-> His3
probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionHgb304
<-> Gln137 ... His3
probabilistic
K +31 His3 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> His3
probabilistic
K +31 His3 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> His3
probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionHgb304
<-> Gln137 ... His96 <->
Bridging ionZn301
<-> His94 ... His3
probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionHgb304
<-> Gln137 ... His119 <->
Bridging ionZn301
<-> His96 ... His3
probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionHgb304
<-> Gln137 ... His119 <->
Bridging ionZn301
<-> His94 ... His3
probabilistic
Chain Sequence
HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 27-257 231 1-26, 258-258 26 1 knot
view details
2.1 25-252 228 1-24 258-258 253-257 24 1 slipknot
publication title The anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies.
pubmed doi rcsb
structure length 258
molecule tags Lyase
sequence length 258
total genus Genus: 78
molecule keywords Carbonic anhydrase 2
ec nomenclature
pdb deposition date 2015-12-16
KnotProt deposition date 2018-10-20
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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