5TY1A

Identification of a new zinc binding chemotype by fragment screening
Knot K +31
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 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 23-253 231 1-22, 254-259 22 6 knot
Fingerprint Knot forming loop Loop type
K +31 His3 ... His94 <->
Bridging ionZn301
<-> His96 ...
Chain closureLys261 <-> His3
probabilistic
K +31 His3 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> His3
probabilistic
K +31 His3 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closureLys261 <-> His3
probabilistic
Chain Sequence
HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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 25-252 228 1-24 258-258 253-257 24 1 slipknot
publication title Identification of a New Zinc Binding Chemotype by Fragment Screening.
pubmed doi rcsb
structure length 258
molecule tags Lyase
source organism Homo sapiens
sequence length 258
molecule keywords Carbonic anhydrase 2
ec nomenclature
pdb deposition date 2016-11-18
KnotProt deposition date 2018-10-20
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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