5FDCA

Crystal structure of human carbonic anhydrase ii in complex with the anticonvulsant sulfamide jnj-26990990 and its s,s-dioxide analog.
Genus: 75
Alphaknot: P00918
Knot K +31

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Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
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+31 24-255 232 1-23, 256-259 23 4 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

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Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
+ 31 21-255 235 1-20, 256-259 20 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

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Subchain analysis 

Knotoid cutoff: 0.5


Knotoid matrix content: 1


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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 26-252 227 1-25 258-258 253-257 25 1 slipknot
sequence length 258
structure length 258
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
molecule tags Lyase
molecule keywords Carbonic anhydrase 2
total genus Genus: 75
ec nomenclature
pdb deposition date 2015-12-16
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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How to cite
KnotProt | Interdisciplinary Laboratory of Biological Systems Modelling