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7H9H

Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z55692894 (CHIKV_MacB-x1444)

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C, D
(A, B, C, D)
Non-structural protein 3polymer16317819.24UniProt (Q8JUX6)
Pfam (PF01661)
Chikungunya virusnsP3
2AA, BA, CA, E, EA...
(C, A, D, B)
DIMETHYL SULFOXIDEnon-polymer78.117Chemie (DMS)Chikungunya Virus
3DA, H
(D, A)
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOLnon-polymer122.12Chemie (TRS)Chikungunya Virus
4HA, IA, L, M, N...
(D, A, B, C)
CHLORIDE IONnon-polymer35.510Chemie (CL)Chikungunya Virus
5JA, O, V
(D, A, B)
2-methyl-1~{H}-benzimidazolenon-polymer132.23Chemie (8P7)Chikungunya Virus
6KA, LA, MA, NA
(A, B, C, D)
waterwater18.0555Chemie (HOH)
Sequence modifications
A, B, C, D: 1 - 160 (UniProt: Q8JUX6)
PDBExternal DatabaseDetails
Gly -2-expression tag
Ala -1-expression tag
Met 0-expression tag
Thr 77Ser 1410conflict
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains4
Total formula weight71276.9
Non-Polymers*Number of molecules32
Total formula weight2323.6
All*Total formula weight73600.4
*Water molecules are not included.

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PDB entries from 2024-11-13

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