4QSJA

Crystal structure of human carbonic anhydrase isozyme xiii with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
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
view details
+31 26-257 232 1-25, 258-260 25 3 knot
Chain Sequence
RLSWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKGRKVRASFH
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 25-257 233 1-24, 258-260 24 2 slipknot
Fingerprint Knot forming loop Loop type
K +31
Chain closureArg2 <-> His261
... His96 <->
Bridging ionZn301
<-> His94 ... Arg2
probabilistic
K +31 Arg2 ... His96 <->
Bridging ionZn301
<-> His119 ...
Chain closureHis261 <-> Arg2
probabilistic
K +31 Arg2 ... His94 <->
Bridging ionZn301
<-> His119 ...
Chain closureHis261 <-> Arg2
probabilistic
Chain Sequence
RLSWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKGRKVRASFH
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
3.1 28-259 232 1-27, 260-260 27 1 knot
view details
2.1 26-254 229 1-25 260-260 255-259 25 1 slipknot
publication title Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
pubmed doi rcsb
structure length 260
molecule tags Lyase/lyase inhibitor
source organism Homo sapiens
sequence length 260
molecule keywords Carbonic anhydrase 13
ec nomenclature ec 4.2.1.1: Carbonate dehydratase.
pdb deposition date 2014-07-04
KnotProt deposition date 2018-10-21

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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