5M0SA

Structure-based evolution of a hybrid steroid series of autotaxin inhibitors
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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+31 116-301 186 1-115 431-804 302-430 115 374 slipknot
Chain Sequence
GSCKGRCFELQEVGPPDCRCDNLCKSYSSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLSRGDCCTNYQVVCKGESHWVDDDCEEIKVPECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHAPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDASFHLRGREKFNHRWWGGQPLWITATKQGVRAGTFFWSVSIPHERRILTILQWLSLPDNERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKTVGQLMDGLKQLRLHRCVNVIFVGDHGMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRAKSINNSKYDPKTIIAALTCKKPDQHFKPYMKQHLPKRLHYANNRRIEDIHLLVDRRWHVARKPLD--------CFFQGDHGFDNKVNSMQTVFVGYGPTFKYRTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTFRPTMPDEVSRPNYPGIMYLQSEFDLGCTCDGSTKERHL-------------------LYGRPAVLYRTSYDILYHTDFESGYSEIFLMPLWTSYTISKQAEVSSIPEHLTNCVRPDVRVSPGFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWAYFQRVLVKKYASERNGVNVISGPIFDYNYDGLRDTEDEIKQYVEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVSSFILPHRPDNDESCASSEDESKWVEELMKMHTARVRDIEHLTGLDFYRKTSRSYSEILTLKTYLHTYE
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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3.1 115-303 189 1-114 422-777 304-421 114 356 slipknot
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3.1 115-421 307 1-114 423-777 422-422 114 355 slipknot
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2.1 34-300 267 1-3, 304-777 4-33, 301-303 3 474 slipknot
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2.1 37-300 264 1-33, 304-777 34-36, 301-303 33 474 slipknot
missing residues 405-412, 515-533
publication title Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
pubmed doi rcsb
structure length 777
molecule tags Hydrolase
source organism Rattus norvegicus
sequence length 804
molecule keywords Ectonucleotide pyrophosphatase/phosphodiesterase family memb
ec nomenclature
pdb deposition date 2016-10-05
KnotProt deposition date 2017-08-29
Image from the rcsb pdb (www.rcsb.org)
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