5JQTA

Crystal structure of human carbonic anhydrase ii in complex with benzoxaborole at ph 7.4
Genus: 79
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
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+31 27-257 231 258-261 1-1 2-26 1 3 slipknot
Chain Sequence
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 15x +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 25-257 233 258-261 1-1 2-24 1 3 slipknot
Fingerprint Knot forming loop Loop type
K +31 Met1 ... Val135 <->
Bridging ionHgb305
<-> Gln137 ...
Chain closureLys261 <-> Met1
 probabilistic
K +31 Met1 ... His94 <->
Bridging ionZn301
<-> His96 ...
Chain closureLys261 <-> Met1
 probabilistic
K +31 Met1 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> Met1
 probabilistic
K +31 Met1 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> Met1
 probabilistic
K +31
Chain closureMet1 <-> Lys261
... Cys206 <->
Bridging ionHgb305
<-> Val135 ... Met1		 probabilistic
K +31
Chain closureMet1 <-> Lys261
... Cys206 <->
Bridging ionHgb305
<-> Gln137 ... Met1		 probabilistic
K +31 Met1 ... His94 <->
Bridging ionZn301
<-> His96 ... Val135 <->
Bridging ionHgb305
<-> Gln137 ...
Chain closureLys261 <-> Met1
 probabilistic
K +31 Met1 ... His96 <->
Bridging ionZn301
<-> His119 ... Val135 <->
Bridging ionHgb305
<-> Gln137 ...
Chain closureLys261 <-> Met1
 probabilistic
K +31 Met1 ... His94 <->
Bridging ionZn301
<-> His119 ... Val135 <->
Bridging ionHgb305
<-> Gln137 ...
Chain closureLys261 <-> Met1
 probabilistic
K +31
Chain closureMet1 <-> Lys261
... Cys206 <->
Bridging ionHgb305
<-> Val135 ... His96 <->
Bridging ionZn301
<-> His94 ... Met1		 probabilistic
K +31
Chain closureMet1 <-> Lys261
... Cys206 <->
Bridging ionHgb305
<-> Val135 ... His119 <->
Bridging ionZn301
<-> His96 ... Met1		 probabilistic
K +31
Chain closureMet1 <-> Lys261
... Cys206 <->
Bridging ionHgb305
<-> Val135 ... His119 <->
Bridging ionZn301
<-> His94 ... Met1		 probabilistic
K +31
Chain closureMet1 <-> Lys261
... Cys206 <->
Bridging ionHgb305
<-> Gln137 ... His96 <->
Bridging ionZn301
<-> His94 ... Met1		 probabilistic
K +31
Chain closureMet1 <-> Lys261
... Cys206 <->
Bridging ionHgb305
<-> Gln137 ... His119 <->
Bridging ionZn301
<-> His96 ... Met1		 probabilistic
K +31
Chain closureMet1 <-> Lys261
... Cys206 <->
Bridging ionHgb305
<-> Gln137 ... His119 <->
Bridging ionZn301
<-> His94 ... Met1		 probabilistic
Chain Sequence
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 27-259 233 1-26, 260-260 26 1 knot
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2.1 28-254 227 1-27 260-260 255-259 27 1 slipknot
view details
3.1 29-258 230 259-260 1-26 27-28 26 1 slipknot
sequence length 260
structure length 260
publication title Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
pubmed doi rcsb
molecule tags Lyase
molecule keywords Carbonic anhydrase 2
source organism Homo sapiens
total genus Genus: 79
ec nomenclature
pdb deposition date 2016-05-05
KnotProt deposition date 2018-10-18
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