3WAVA

Crystal structure of autotaxin in complex with compound 10
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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+31 120-307 188 1-119 436-805 308-435 119 370 slipknot
Chain Sequence
WTNTSGSCKGRCFELQEVGPPDCRCDNLCKSYSSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLSRGDCCTNYQVVCKGESHWVDDDCEEIRVPECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHAPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWITATKQGVRAGTFFWSVSIPHERRILTILQWLSLPDNERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKTVGQLMDGLKQLKLHRCVNVIFVGDHGMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRPKIPNNLKYDPKAIIANLTCKKPDQHFKPYMKQHLPKRLHYANNRRIEDLHLLVERRWHVARKPLDVYKK----CFFQGDHGFDNKVNSMQTVFVGYGPTFKYRTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTFRPTLPEEVSRPNYPGIMYLQSDFDLGCTCDDKNKLEELNKRLHTKGSTEERHLLYGRPAVLYRTSYDILYHTDFESGYSEIFLMPLWTSYTISKQAEVSSIPEHLTNCVRPDVRVSPGFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWTYFQRVLVKKYASERNGVNVISGPIFDYNYNGLRDIEDEIKQYVEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVSSFILPHRPDNDESCNSSEDESKWVEELMKMHTARVRDIEHLTGLDFYRKTSRSYSEILTLKTYLHTYE
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
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2.1 33-305 273 1-32 313-801 306-312 32 489 slipknot
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3.1 121-308 188 1-120 431-801 309-430 120 371 slipknot
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3.1 117-430 314 1-116 432-801 431-431 116 370 slipknot
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2.1 44-431 388 1-1, 434-801 2-43, 432-433 1 368 slipknot
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2.1 46-305 260 1-33, 309-801 34-45, 306-308 33 493 slipknot
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2.1 56-305 250 1-45, 309-801 46-55, 306-308 45 493 slipknot
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2.1 94-305 212 1-66, 309-801 67-93, 306-308 66 493 slipknot
sequence length 805
structure length 801
publication title Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
pubmed doi rcsb
molecule tags Hydrolase/hydrolase inhibitor
molecule keywords Ectonucleotide pyrophosphatase/phosphodiesterase family memb
source organism Mus musculus
missing residues 414-417
total genus Genus: 259
ec nomenclature ec 3.1.4.39: Alkylglycerophosphoethanolamine phosphodiesterase.
pdb deposition date 2013-05-09
KnotProt deposition date 2014-10-07

pfam database annotations

chain Pfam Accession Code Pfam Family Identifier Pfam Description
A PF01033 Somatomedin_B Somatomedin B domain
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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