2025-01-25_00000208
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ligand
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9DON
Crystal structure of eIF4e in complex with Compound 5-PA;
X-ray diffraction 2.09Å
Protein #1
191 residues (98% resolved)
Raw Sequence ...
MVANPEHYIKHPLQNRWALWFFKNDKSKTWQANLRLISKFDTVEDFWALYNHIQLSSNLMPGCDYSLFKDGIEPMWEDEKNKRGGRWLITLNKQQRRSDLDRFWLETLLCLIGESFDDYSDDVCGAVVNVRAKGDKIAIWTTECENREAVTHIGRVYKERLGLPPKIVIGYQSHADTATKSGSTTKNRFVV
Canonical Sequence ...
MVANPEHYIKHPLQNRWALWFFKNDKSKTWQANLRLISKFDTVEDFWALYNHIQLSSNLMPGCDYSLFKDGIEPMWEDEKNKRGGRWLITLNKQQRRSDLDRFWLETLLCLIGESFDDYSDDVCGAVVNVRAKGDKIAIWTTECENREAVTHIGRVYKERLGLPPKIVIGYQSHADTATKSGSTTKNRFVV
Non polymer #2
A1A8P
InChI=1S/C23H21ClN5O5P/c24-17-4-5-19-16(9-17)10-18(34-19)12-28-13-29(21-20(28)22(30)27-23(25)26-21)11-15-3-1-2-14(8-15)6-7-35(31,32)33/h1-5,8-10,13H,6-7,11-12H2,(H4-,25,26,27,30,31,32,33)/p+1
InChI=1S/C23H21ClN5O5P/c24-17-4-5-19-16(9-17)10-18(34-19)12-28-13-29(21-20(28)22(30)27-23(25)26-21)11-15-3-1-2-14(8-15)6-7-35(31,32)33/h1-5,8-10,13H,6-7,11-12H2,(H4-,25,26,27,30,31,32,33)/p+1
SMILES: c1cc(cc(c1)Cn2c[n+](c3c2N=C(NC3=O)N)Cc4cc5cc(ccc5o4)Cl)CCP(=O)(O)O
c1cc(cc(c1)Cn2c[n+](c3c2N=C(NC3=O)N)Cc4cc5cc(ccc5o4)Cl)CCP(=O)(O)O
Non polymer #3
M7G
InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
SMILES: C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O
C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
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