3RJ7A

Human carbonic anhydrase ii complexed with its inhibitor rhenium(i)triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide
Genus: 78
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 25-255 231 256-259 1-1 2-24 1 3 slipknot
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 23x +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 25-256 232 1-24, 257-259 24 3 knot
Fingerprint Knot forming loop Loop type
K +31 His3 ... Val135 <->
Bridging ionMbo301
<-> Gln137 ...
Chain closureLys261 <-> His3
 probabilistic
K +31 His3 ... His94 <->
Bridging ionZn300
<-> His96 ...
Chain closureLys261 <-> His3
 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo301
<-> Val135 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo301
<-> Val135 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo301
<-> Gln137 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo301
<-> Gln137 ... His3		 probabilistic
K +31 His3 ... His96 <->
Bridging ionZn300
<-> His119 ...
Chain closureLys261 <-> His3
 probabilistic
K +31 His3 ... His94 <->
Bridging ionZn300
<-> His119 ...
Chain closureLys261 <-> His3
 probabilistic
K +31 His3 ... His94 <->
Bridging ionZn300
<-> His96 ... Val135 <->
Bridging ionMbo301
<-> Gln137 ...
Chain closureLys261 <-> His3
 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo301
<-> Val135 ... His96 <->
Bridging ionZn300
<-> His94 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo301
<-> Val135 ... His96 <->
Bridging ionZn300
<-> His94 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo301
<-> Gln137 ... His96 <->
Bridging ionZn300
<-> His94 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo301
<-> Gln137 ... His96 <->
Bridging ionZn300
<-> His94 ... His3		 probabilistic
K +31 His3 ... His96 <->
Bridging ionZn300
<-> His119 ... Val135 <->
Bridging ionMbo301
<-> Gln137 ...
Chain closureLys261 <-> His3
 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo301
<-> Val135 ... His119 <->
Bridging ionZn300
<-> His96 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo301
<-> Val135 ... His119 <->
Bridging ionZn300
<-> His96 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo301
<-> Gln137 ... His119 <->
Bridging ionZn300
<-> His96 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo301
<-> Gln137 ... His119 <->
Bridging ionZn300
<-> His96 ... His3		 probabilistic
K +31 His3 ... His94 <->
Bridging ionZn300
<-> His119 ... Val135 <->
Bridging ionMbo301
<-> Gln137 ...
Chain closureLys261 <-> His3
 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo301
<-> Val135 ... His119 <->
Bridging ionZn300
<-> His94 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo301
<-> Val135 ... His119 <->
Bridging ionZn300
<-> His94 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Cys206 <->
Bridging ionMbo301
<-> Gln137 ... His119 <->
Bridging ionZn300
<-> His94 ... His3		 probabilistic
K +31
Chain closureHis3 <-> Lys261
... Glu205 <->
Bridging ionMbo301
<-> Gln137 ... His119 <->
Bridging ionZn300
<-> 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 25-256 232 1-24, 257-258 24 2 knot
view details
2.1 24-252 229 1-23 258-258 253-257 23 1 slipknot
sequence length 258
structure length 258
publication title [(Cp-R)M(CO)(3) ] (M=Re or (99m) Tc) Arylsulfonamide, Arylsulfamide, and Arylsulfamate Conjugates for Selective Targeting of Human Carbonic Anhydrase IX.
pubmed doi rcsb
molecule tags Lyase/lyase inhibitor
molecule keywords Carbonic anhydrase 2
total genus Genus: 78
ec nomenclature ec 4.2.1.1: Carbonate dehydratase.
pdb deposition date 2011-04-15
KnotProt deposition date 2018-10-18

pfam database annotations

chain Pfam Accession Code Pfam Family Identifier Pfam Description
A PF00194 Carb_anhydrase Eukaryotic-type carbonic anhydrase
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