2026-05-09_00000160
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medium
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9TSM
ProteinMPNN mutated PF3D7_1475600 (PfBDP4-BRD, 77.8% sequence identity) in complex with GSK9311;
X-ray diffraction 1.25Å
Protein #1
119 residues (98% resolved)
Raw Sequence ...
GPMEKEIQEKKNEVLQEFLNKLIAFDKKRIFLYPVNVQLVPDYLNVIKEPMDFTTMKQKLKKGEYKSFEEFEKDVLLIINNCYTYNDPSTIYYKFAEDIETYYKKLKPDKEKKWKAVEE
Canonical Sequence ...
GPMEKEIQEKKNEVLQEFLNKLIAFDKKRIFLYPVNVQLVPDYLNVIKEPMDFTTMKQKLKKGEYKSFEEFEKDVLLIINNCYTYNDPSTIYYKFAEDIETYYKKLKPDKEKKWKAVEE
Non polymer #2
8VI
InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1
InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1
SMILES: CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC
CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC
Non polymer #3
BU3
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
SMILES: C[C@H]([C@@H](C)O)O
C[C@H]([C@@H](C)O)O
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Model
Reference
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