2024-02-03_00000206
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ligand
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8SYC
Crystal structure of PDE3B in complex with GSK4394835A;
X-ray diffraction 2.70Å
Protein #1
443 residues (80% resolved)
Raw Sequence ...
MEQEVSLDLILVEEYDSLIEKMSNWNFPIFELVEKMGEDSGRILSQVMYTLFQDTGLLEIFKIPTQQFMNYFRALENGYRDIPYHNRIHATDVLHAVWYLTTRPVPGLQQIHNGCGTGNETDSDGRINHGDIAYISSKSCSNPDESYGCLSSNIPALELMALYVAAAMHDYDHPGRTNEFLVATNAPQAVLYNDRSVLENHHAASAWNLYLSRPEYNFLLHLDHVEFERFRFLVIEAILATDLKKHFDFLAEFNAKANDVNSNGIEWSNENDRLLVCQVCIKLADINGPAKVRDLHLKWTEGIVNEFYEQGDEEANLGLPISPFMDRSDPQLAKLQESFITHIVGPLCNSYDAAGLLPGQWLEAEEDNDTESGDDEDGEELDTEDEEMENNLNPKPPRRKSRRRIFCQLMHHLTENHKIWKENLYFQGDYKDDDDKGHHHHHH
Canonical Sequence ...
MEQEVSLDLILVEEYDSLIEKMSNWNFPIFELVEKMGEDSGRILSQVMYTLFQDTGLLEIFKIPTQQFMNYFRALENGYRDIPYHNRIHATDVLHAVWYLTTRPVPGLQQIHNGCGTGNETDSDGRINHGDIAYISSKSCSNPDESYGCLSSNIPALELMALYVAAAMHDYDHPGRTNEFLVATNAPQAVLYNDRSVLENHHAASAWNLYLSRPEYNFLLHLDHVEFERFRFLVIEAILATDLKKHFDFLAEFNAKANDVNSNGIEWSNENDRLLVCQVCIKLADINGPAKVRDLHLKWTEGIVNEFYEQGDEEANLGLPISPFMDRSDPQLAKLQESFITHIVGPLCNSYDAAGLLPGQWLEAEEDNDTESGDDEDGEELDTEDEEMENNLNPKPPRRKSRRRIFCQLMHHLTENHKIWKENLYFQGDYKDDDDKGHHHHHH
Non polymer #2
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #3
X5W
InChI=1S/C27H25BN3O6/c1-31(16-17-7-5-4-6-8-17)27(33)18-11-19(28(34)35)13-20(12-18)29-26(32)24-15-25(37-3)22-10-9-21(36-2)14-23(22)30-24/h4-15,34H,16H2,1-3H3,(H,29,32)
InChI=1S/C27H25BN3O6/c1-31(16-17-7-5-4-6-8-17)27(33)18-11-19(28(34)35)13-20(12-18)29-26(32)24-15-25(37-3)22-10-9-21(36-2)14-23(22)30-24/h4-15,34H,16H2,1-3H3,(H,29,32)
SMILES: B(=O)(c1cc(cc(c1)NC(=O)c2cc(c3ccc(cc3n2)OC)OC)C(=O)N(C)Cc4ccccc4)O
B(=O)(c1cc(cc(c1)NC(=O)c2cc(c3ccc(cc3n2)OC)OC)C(=O)N(C)Cc4ccccc4)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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