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
view details
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)
5OHIA 4ZG7A 3NKQA 3NKRA 3WAYA 3NKOA 3NKPA 5OLBA 3NKNA 3WAVA 5DLWA 3WAXA 3NKMA 4ZG6A 5IJQA 3WAWA 2XR9A 5DLVA 5IJSA 5M0SA 4GTWA 4B56A 2XRGA 4GTXA 4GTZA 4GTYA
similar chains in the KnotProt database (40% sequence similarity)
5DLTA 5INHA 5LIAA 6C02A 6C02B 5HRTA 4ZG6B 5M0EA 5DLVB 5GZ5A 5M0MA 6C01A 6C01B 5L0BA 5L0BB 5KXAA 5MHPA 5LQQA 5M0DA 4ZGAA 4ZG9A 4ZG9B 5GZ4A 5L0EA 5L0EB 5L0KA 5L0KB 5M7MA 4GTWB 4B56B 4GTXB 4GTZB 4GTYB
similar chains in the pdb database (40% sequence similarity)

 
            
               
#similar chains in the KnotProt database (40% sequence similarity)
 5OHI A;  4ZG7 A;  3NKQ A;  3NKR A;  3WAY A;  3NKO A;  3NKP A;  5OLB A;  3NKN A;  3WAV A;  5DLW A;  3WAX A;  3NKM A;  4ZG6 A;  5IJQ A;  3WAW A;  2XR9 A;  5DLV A;  5IJS A;  5M0S A;  4GTW A;  4B56 A;  2XRG A;  4GTX A;  4GTZ A;  4GTY A; 
               
               
           
#similar chains in the pdb database (40% sequence similarity)
 5DLT A;  5INH A;  5LIA A;  6C02 A;  6C02 B;  5HRT A;  4ZG6 B;  5M0E A;  5DLV B;  5GZ5 A;  5M0M A;  6C01 A;  6C01 B;  5L0B A;  5L0B B;  5KXA A;  5MHP A;  5LQQ A;  5M0D A;  4ZGA A;  4ZG9 A;  4ZG9 B;  5GZ4 A;  5L0E A;  5L0E B;  5L0K A;  5L0K B;  5M7M A;  4GTW B;  4B56 B;  4GTX B;  4GTZ B;  4GTY B; 
           

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