2026-01-24_00000115
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ligand
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9KJQ
The mTREX1-NSC 37215 complex structure by co-crystallization (NSC 37215-2 Complex 2);
X-ray diffraction 1.80Å
Protein #1
252 residues (90% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMQTLIFLDLEATGLPSSRPEVTELCLLAVHRRALENTSISQGHPPPVPRPPRVVDKLSLCIAPGKACSPGASEITGLSKAELEVQGRQRFDDNLAILLRAFLQRQPQPCCLVAHNGDRYDFPLLQTELARLSTPSPLDGTFCVDSIAALKALEQASSPSGNGSRKSYSLGSIYTRLYWQAPTDSHTAEGDVLTLLSICQWKPQALLQWVDEHARPFSTVKPMYGTPATTGTT
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMQTLIFLDLEATGLPSSRPEVTELCLLAVHRRALENTSISQGHPPPVPRPPRVVDKLSLCIAPGKACSPGASEITGLSKAELEVQGRQRFDDNLAILLRAFLQRQPQPCCLVAHNGDRYDFPLLQTELARLSTPSPLDGTFCVDSIAALKALEQASSPSGNGSRKSYSLGSIYTRLYWQAPTDSHTAEGDVLTLLSICQWKPQALLQWVDEHARPFSTVKPMYGTPATTGTT
Non polymer #2
A1L50
InChI=1S/C24H18N2O6S/c27-22-14-20(33(30,31)32)13-17-12-19(10-11-21(17)22)26-24(29)16-6-8-18(9-7-16)25-23(28)15-4-2-1-3-5-15/h1-14,27H,(H,25,28)(H,26,29)(H,30,31,32)
InChI=1S/C24H18N2O6S/c27-22-14-20(33(30,31)32)13-17-12-19(10-11-21(17)22)26-24(29)16-6-8-18(9-7-16)25-23(28)15-4-2-1-3-5-15/h1-14,27H,(H,25,28)(H,26,29)(H,30,31,32)
SMILES: c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O
c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O
Non polymer #3
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Biounit #1
homo-dimer
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Model
Reference
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