4Q07A

Crystal structure of chimeric carbonic anhydrase ix with inhibitor
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
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+31 20-253 234 1-19, 254-257 19 4 knot
Chain Sequence
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVEFDDSQDKAVLKGGPLDGTYRLLQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDVGKALQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLAECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 3x +31
Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
+ 31 22-254 233 255-257 1-1 2-21 1 2 slipknot
Fingerprint Knot forming loop Loop type
K +31 His4 ... His94 <->
Bridging ionZn301
<-> His96 ...
Chain closureLys260 <-> His4
probabilistic
K +31 His4 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys260 <-> His4
probabilistic
K +31 His4 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys260 <-> His4
probabilistic
Chain Sequence
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVEFDDSQDKAVLKGGPLDGTYRLLQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDVGKALQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLAECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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
2.1 23-256 234 1-22, 257-257 22 1 knot
view details
2.1 25-251 227 1-24 257-257 252-256 24 1 slipknot
publication title Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
pubmed doi rcsb
structure length 257
molecule tags Lyase/lyase inhibitor
source organism Homo sapiens
sequence length 257
molecule keywords Carbonic anhydrase 2
ec nomenclature ec 4.2.1.1: Carbonate dehydratase.
pdb deposition date 2014-04-01
KnotProt deposition date 2018-10-20

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 KnotProt database (?% sequence similarity)
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similar chains in the pdb database (?% sequence similarity)

 
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