BMRB Entry 25375

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25375

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Title:
Assignment of PTP1B bound to the inhibitor CPT-157633
Deposition date:
2014-12-01
Original release date:
2015-08-04
Authors:
Peti, Wolfgang; Connors, Christopher; Page, Rebecca
Citation:

Citation: Krishnan, Navasona; Krishnan, Keerthi; Connors, Christopher; Choy, Meng; Page, Rebecca; Peti, Wolfgang; Van Aelst, Linda; Shea, Stephen; Tonks, Nicholas. "PTP1B inhibition suggests a therapeutic strategy for Rett syndrome"  J. Clin. Invest. 125, 3163-3177 (2015).
PubMed: 26214522

Assembly members:

Assembly members:
PTP1B, polymer, 308 residues, Formula weight is not available
CPT-157633, non-polymer, 465.209 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: RP1B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PTP1B: GHMASMEMEKEFEQIDKSGS WAAIYQDIRHEASDFPCRVA KLPKNKNRNRYRDVSPFDHS RIKLHQEDNDYINASLIKME EAQRSYILTQGPLPNTCGHF WEMVWEQKSRGVVMLNRVME KGSLKCAQYWPQKEEKEMIF EDTNLKLTLISEDIKSYYTV RQLELENLTTQETREILHFH YTTWPDFGVPESPASFLNFL FKVRESGSLSPEHGPVVVHC SAGIGRSGTFCLADTCLLLM DKRKDPSSVDIKKVLLEMRK FRMGLIQTADQLRFSYLAVI EGAKFIMGDSSVQDQWKELS HEDLEPHN

Data sets:
Data typeCount
13C chemical shifts244
15N chemical shifts212
1H chemical shifts212

Additional metadata:

  • Assembly
  • Samples and Experiments
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  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1PTP1B1
2CPT-1576332

Entities:

Entity 1, PTP1B 308 residues - Formula weight is not available

GHMAS are cloning artefacts

1   GLYHISMETALASERMETGLUMETGLULYS
2   GLUPHEGLUGLNILEASPLYSSERGLYSER
3   TRPALAALAILETYRGLNASPILEARGHIS
4   GLUALASERASPPHEPROCYSARGVALALA
5   LYSLEUPROLYSASNLYSASNARGASNARG
6   TYRARGASPVALSERPROPHEASPHISSER
7   ARGILELYSLEUHISGLNGLUASPASNASP
8   TYRILEASNALASERLEUILELYSMETGLU
9   GLUALAGLNARGSERTYRILELEUTHRGLN
10   GLYPROLEUPROASNTHRCYSGLYHISPHE
11   TRPGLUMETVALTRPGLUGLNLYSSERARG
12   GLYVALVALMETLEUASNARGVALMETGLU
13   LYSGLYSERLEULYSCYSALAGLNTYRTRP
14   PROGLNLYSGLUGLULYSGLUMETILEPHE
15   GLUASPTHRASNLEULYSLEUTHRLEUILE
16   SERGLUASPILELYSSERTYRTYRTHRVAL
17   ARGGLNLEUGLULEUGLUASNLEUTHRTHR
18   GLNGLUTHRARGGLUILELEUHISPHEHIS
19   TYRTHRTHRTRPPROASPPHEGLYVALPRO
20   GLUSERPROALASERPHELEUASNPHELEU
21   PHELYSVALARGGLUSERGLYSERLEUSER
22   PROGLUHISGLYPROVALVALVALHISCYS
23   SERALAGLYILEGLYARGSERGLYTHRPHE
24   CYSLEUALAASPTHRCYSLEULEULEUMET
25   ASPLYSARGLYSASPPROSERSERVALASP
26   ILELYSLYSVALLEULEUGLUMETARGLYS
27   PHEARGMETGLYLEUILEGLNTHRALAASP
28   GLNLEUARGPHESERTYRLEUALAVALILE
29   GLUGLYALALYSPHEILEMETGLYASPSER
30   SERVALGLNASPGLNTRPLYSGLULEUSER
31   HISGLUASPLEUGLUPROHISASN

Entity 2, CPT-157633 - C12H14BrF2N2O6PS - 465.209 Da.

1   CPT-157633

Related Database Links:

BMRB 19223 19224
PDB 1A5Y 1AAX 1BZC 1BZH 1BZJ 1C83 1C84 1C85 1C86 1C87 1C88 1ECV 1EEN 1EEO 1G1F 1G1G 1G1H 1G7F 1G7G 1GFY 1I57 1JF7 1KAK 1KAV 1L8G 1LQF 1NL9 1NNY 1NO6 1NWE 1NWL 1NZ7 1OEM 1OEO 1OES 1OET 1OEU 1OEV 1ONY 1ONZ 1PA1 1PH0 1PTT 1PTU 1PTV 1PTY 1PXH 1PYN 1Q1M 1Q6J 1Q6M 1Q6N 1Q6P 1Q6S 1Q6T 1QXK 1SUG 1T48 1T49 1T4J 1WAX 1XBO 2AZR 2B07 2B4S 2BGD 2BGE 2CM2 2CM3 2CM7 2CM8 2CMA 2CMB 2CMC 2CNE 2CNF 2CNG 2CNH 2CNI 2F6F 2F6T 2F6V 2F6W 2F6Y 2F6Z 2F70 2F71 2FJM 2FJN 2H4G 2H4K 2HB1 2HNP 2HNQ 2NT7 2NTA 2QBP 2QBQ 2QBR 2QBS 2VEU 2VEV 2VEW 2VEX 2VEY 2ZMM 2ZN7 3A5J 3A5K 3CWE 3D9C 3EAX 3EB1 3EU0 3I7Z 3I80 3QKP 3QKQ 3SME 3ZMP 3ZMQ 3ZV2 4BJO 4I8N 4QAP 4QBW 4Y14 4ZRT
DBJ BAF83327 BAG11007 BAG38152 BAG61697
EMBL CAH90487 CAN13184
GB AAA60157 AAA60223 AAH15660 AAH18164 AAP35398
REF NP_001106906 NP_001125254 NP_001245122 NP_001265547 NP_002818
SP P18031
AlphaFold P18031

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks