Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T21357 | Target Info | |||
| Target Name | Phosphodiesterase 3B (PDE3B) | ||||
| Synonyms | cGMPinhibited 3',5'cyclic phosphodiesterase B; cGMP-inhibited 3',5'-cyclic phosphodiesterase B; Cyclic GMPinhibited phosphodiesterase B; Cyclic GMP-inhibited phosphodiesterase B; CGIPDE1; CGIPDE B; CGIP1; CGI-PDE B | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | PDE3B | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Isobutylmethylxanthine | Ligand Info | |||||
| Structure Description | CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH IBMX | PDB:1SOJ | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
LDLILVEEYD
668 SLIEKMSNWN678 FPIFELVEKM688 GEKSGRILSQ698 VMYTLFQDTG708 LLEIFKIPTQ 718 QFMNYFRALE728 NGYRDIPYHN738 RIHATDVLHA748 VWYLTTRPVP758 GLQQIHNGRI 784 AYISSKSCSN794 PDESYGCLSS804 NIPALELMAL814 YVAAAMHDYD824 HPGRTNAFLV 834 ATNAPQAVLY844 NDRSVLENHH854 AASAWNLYLS864 RPEYNFLLHL874 DHVEFKRFRF 884 LVIEAILATD894 LKKHFDFLAE904 FNAKANDVNS914 NGIEWSNEND924 RLLVCQVCIK 934 LADINGPAKV944 RDLHLKWTEG954 IVNEFYEQGD964 EEANLGLPIS974 PFMDRSSPQL 984 AKLQESFITH994 IVGPLCNSYD1004 AAGLLPGQWL1014 EAESRRRIFC1059 QLMHHLTENH 1069 KIWK
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| Ligand Name: 1-Deoxy-1-[(2-hydroxyethyl)(nonanoyl)amino]hexitol | Ligand Info | |||||
| Structure Description | CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B In COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR | PDB:1SO2 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
LDLILVEEYD
668 SLIEKMSNWN678 FPIFELVEKM688 GEKSGRILSQ698 VMYTLFQDTG708 LLEIFKIPTQ 718 QFMNYFRALE728 NGYRDIPYHN738 RIHATDVLHA748 VWYLTTRPVP758 GLQQIHNGGR 783 IAYISSKSCS793 NPDESYGCLS803 SNIPALELMA813 LYVAAAMHDY823 DHPGRTNAFL 833 VATNAPQAVL843 YNDRSVLENH853 HAASAWNLYL863 SRPEYNFLLH873 LDHVEFKRFR 883 FLVIEAILAT893 DLKKHFDFLA903 EFNAKANDVN913 SNGIEWSNEN923 DRLLVCQVCI 933 KLADINGPAK943 VRDLHLKWTE953 GIVNEFYEQG963 DEEANLGLPI973 SPFMDRSSPQ 983 LAKLQESFIT993 HIVGPLCNSY1003 DAAGLLPGQW1013 LESRRRIFCQ1060 LMHHLTENHK 1070 IWK
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| Ligand Name: 6-(4-{[2-(3-Iodobenzyl)-3-oxocyclohex-1-EN-1-YL]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one | Ligand Info | |||||
| Structure Description | CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B In COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR | PDB:1SO2 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
LDLILVEEYD
668 SLIEKMSNWN678 FPIFELVEKM688 GEKSGRILSQ698 VMYTLFQDTG708 LLEIFKIPTQ 718 QFMNYFRALE728 NGYRDIPYHN738 RIHATDVLHA748 VWYLTTRPVP758 GLQQIHNGGR 783 IAYISSKSCS793 NPDESYGCLS803 SNIPALELMA813 LYVAAAMHDY823 DHPGRTNAFL 833 VATNAPQAVL843 YNDRSVLENH853 HAASAWNLYL863 SRPEYNFLLH873 LDHVEFKRFR 883 FLVIEAILAT893 DLKKHFDFLA903 EFNAKANDVN913 SNGIEWSNEN923 DRLLVCQVCI 933 KLADINGPAK943 VRDLHLKWTE953 GIVNEFYEQG963 DEEANLGLPI973 SPFMDRSSPQ 983 LAKLQESFIT993 HIVGPLCNSY1003 DAAGLLPGQW1013 LESRRRIFCQ1060 LMHHLTENHK 1070 IWK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .666 or .6662 or .6663 or :3666;style chemicals stick;color identity;select .A:736 or .A:737 or .A:829 or .A:895 or .A:937 or .A:938 or .A:939 or .A:940 or .A:941 or .A:948 or .A:951 or .A:952 or .A:955 or .A:959 or .A:975 or .A:976 or .A:987 or .A:988 or .A:990 or .A:991 or .A:995; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR736
3.393
HIS737
4.277
THR829
3.534
LEU895
3.959
ASP937
4.956
ILE938
3.528
ASN939
4.658
GLY940
3.603
PRO941
3.303
HIS948
2.830
TRP951
3.642
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of human phosphodiesterase 3B: atomic basis for substrate and inhibitor specificity. Biochemistry. 2004 May 25;43(20):6091-100. | ||||
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