2025-12-20_00000039
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ligand
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9HMC
Crystal structure of PDE6D in complex with compound 5e;
X-ray diffraction 1.65Å
Protein #1
156 residues (96% resolved)
Raw Sequence ...
HHHHHHMSAKDERAREILRGFKLNWMNLRDAETGKILWQGTEDLSVPGVEHEARVPKKILKCKAVSRELNFSSTEQMEKFRLEQKVYFKGQCLEEWFFEFGFVIPNSTNTWQSLIEAAPESQMMPASVLTGNVIIETKFFDDDLLVSTSRVRLFYV
Canonical Sequence ...
HHHHHHMSAKDERAREILRGFKLNWMNLRDAETGKILWQGTEDLSVPGVEHEARVPKKILKCKAVSRELNFSSTEQMEKFRLEQKVYFKGQCLEEWFFEFGFVIPNSTNTWQSLIEAAPESQMMPASVLTGNVIIETKFFDDDLLVSTSRVRLFYV
Non polymer #2
A1IWC
InChI=1S/C31H48N6O3S/c1-5-6-7-8-9-20-35(23-27-16-18-32-19-17-27)41(39,40)22-11-10-21-36-31(38)30-29(25(3)33-36)26(4)37(34-30)28-14-12-24(2)13-15-28/h12-15,27,32H,5-11,16-23H2,1-4H3
InChI=1S/C31H48N6O3S/c1-5-6-7-8-9-20-35(23-27-16-18-32-19-17-27)41(39,40)22-11-10-21-36-31(38)30-29(25(3)33-36)26(4)37(34-30)28-14-12-24(2)13-15-28/h12-15,27,32H,5-11,16-23H2,1-4H3
SMILES: CCCCCCCN(CC1CCNCC1)S(=O)(=O)CCCCN2C(=O)c3c(c(n(n3)c4ccc(cc4)C)C)C(=N2)C
CCCCCCCN(CC1CCNCC1)S(=O)(=O)CCCCN2C(=O)c3c(c(n(n3)c4ccc(cc4)C)C)C(=N2)C
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
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