4YXUA

Human carbonic anhydrase ii complexed with an inhibitor with a benzenesulfonamide group (4).
Genus: 76
Alphaknot: P00918
Slipknot S +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
view details
+31 23-256 234 1-22, 257-259 22 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 11x +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 23-256 234 1-22, 257-259 22 3 knot
Fingerprint Knot forming loop Loop type
K +31 His3 ... His94 <->
Bridging ionZn301
<-> His96 ...
Chain closureLys261 <-> His3
 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo302
<-> 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 ionMbo302
<-> Gln137 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo302
<-> Gln137 ... His96 <->
Bridging ionZn301
<-> His94 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo302
<-> Gln137 ... His119 <->
Bridging ionZn301
<-> His96 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo302
<-> Gln137 ... His119 <->
Bridging ionZn301
<-> His94 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo302
<-> Gln137 ... His96 <->
Bridging ionZn301
<-> His94 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo302
<-> Gln137 ... His119 <->
Bridging ionZn301
<-> His96 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo302
<-> 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 27-256 230 1-26, 257-258 26 2 knot
view details
2.1 25-252 228 1-24 257-258 253-256 24 2 slipknot
sequence length 258
structure length 258
publication title Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
pubmed doi rcsb
molecule tags Lyase
molecule keywords Carbonic anhydrase 2
source organism Homo sapiens
total genus Genus: 76
ec nomenclature
pdb deposition date 2015-03-23
KnotProt deposition date 2018-10-19
Image from the rcsb pdb (www.rcsb.org)
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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