PDB entry 3ptg
View 3ptg on RCSB PDB site
Description: Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor
Class: transferase/transferase inhibitor
Keywords: JNK Inhibitor, Thiophene, neurodegeneration, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on
2010-12-02, released
2011-03-02
The last revision prior to the SCOPe 2.01 freeze date was dated
2011-03-23, with a file datestamp of
2011-03-18.
Experiment type: XRAY
Resolution: 2.43 Å
R-factor: 0.247
AEROSPACI score: 0.27
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Mitogen-activated protein kinase 10
Species: Homo sapiens [TaxId:9606]
Gene: MAPK10, JNK3, JNK3A, PRKM10
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.01: d3ptga_ - Chain 'J':
Compound: C-Jun-amino-terminal kinase-interacting protein 1
Species: HOMO SAPIENS, synthetic [TaxId:9606]
Database cross-references and differences (RAF-indexed):
- Heterogens: 932, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3ptgA (A:)
askskvdnqfysvevgdstftvlkryqnlkpigsgaqgivcaaydavldrnvaikklsrp
fqnqthakrayrelvlmkcvnhkniisllnvftpqktleefqdvylvmelmdanlcqviq
meldhermsyllyqmlcgikhlhsagiihrdlkpsnivvksdctlkildfglartagtsf
mmtpyvvtryyrapevilgmgykenvdiwsvgcimgemvrhkilfpgrdyidqwnkvieq
lgtpcpefmkklqptvrnyvenrpkyagltfpklfpdslfpadsehnklkasqardllsk
mlvidpakrisvddalqhpyinvwydpaeveapppqiydkqlderehtieewkeliykev
mns
Sequence, based on observed residues (ATOM records): (download)
>3ptgA (A:)
nqfysvevgdstftvlkryqnlkpigsgaqgivcaaydavldrnvaikklsrpfqnqtha
krayrelvlmkcvnhkniisllnvftpqktleefqdvylvmelmdanlcqviqmeldher
msyllyqmlcgikhlhsagiihrdlkpsnivvksdctlkildfglavtryyrapevilgm
gykenvdiwsvgcimgemvrhkilfpgrdyidqwnkvieqlgtpcpefmkklqptvrnyv
enrpkyagltfpklfpdslfpahnklkasqardllskmlvidpakrisvddalqhpyinv
wydpaeveapppqiydkqlderehtieewkeliykevmns
- Chain 'J':
No sequence available.