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6RGK

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B
(A, B)
Phosphodiesterasepolymer36040623.32UniProt (Q8WQX9)
Pfam (PF00233)
Trypanosoma brucei
2C, K
(A, B)
ZINC IONnon-polymer65.42Chemie (ZN)
3D, L
(A, B)
MAGNESIUM IONnon-polymer24.32Chemie (MG)
4E
(A)
FORMIC ACIDnon-polymer46.01Chemie (FMT)
5F, M, N
(A, B)
GLYCEROLnon-polymer92.13Chemie (GOL)
6G, H, I, O, P
(A, B)
GUANIDINEnon-polymer59.15Chemie (GAI)
7J, Q
(A, B)
3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamidenon-polymer477.62Chemie (K3N)
8R, S
(A, B)
waterwater18.0336Chemie (HOH)
Sequence modifications
A, B: 565 - 918 (UniProt: Q8WQX9)
PDBExternal DatabaseDetails
Gly 559-expression tag
Ser 560-expression tag
His 561-expression tag
Met 562-expression tag
Ala 563-expression tag
Ser 564-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight81246.7
Non-Polymers*Number of molecules15
Total formula weight1752.4
All*Total formula weight82999.0
*Water molecules are not included.

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PDB entries from 2025-07-30

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