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5AME

Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B
(A, B)
BROMODOMAIN-CONTAINING PROTEIN 1polymer13515753.02UniProt (O95696)
Pfam (PF00439)
HOMO SAPIENS (HUMAN)BRD1A, BR140-LIKE PROTEIN, BROMODOMAIN AND PHD FINGER-CONTAINING PROTEIN 2
2C
(B)
4-acetyl-piperazin-2-onenon-polymer142.21Chemie (PW3)
3D
(B)
SODIUM IONnon-polymer23.01Chemie (NA)
4E, F
(A, B)
waterwater18.0300Chemie (HOH)
Sequence modifications
A, B: 24 - 156 (UniProt: O95696)
PDBExternal DatabaseDetails
Ser 22-expression tag
Met 23-expression tag
Glu 34Pro 566engineered mutation
Arg 37Val 569engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight31506.0
Non-Polymers*Number of molecules2
Total formula weight165.1
All*Total formula weight31671.2
*Water molecules are not included.

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PDB entries from 2024-11-20

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