6O0L

crystal structure of BCL-2 G101V mutation with venetoclax

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, C)	Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2	polymer	166	19399.6	2	UniProt (P10415) UniProt (Q07817) Pfam (PF02180) Pfam (PF00452)	Homo sapiens (Human)	Bcl2-L-1,Apoptosis regulator Bcl-X
2	C, G (A, C)	4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide	non-polymer		868.4	2	Chemie (LBM)
3	D, E, H, I (A, C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG)
4	F, J (A, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	K, L (A, C)	water	water		18.0	22	Chemie (HOH)

Sequence modifications

A, C: 1 - 75 (UniProt: P10415)
A, C: 76 - 91 (UniProt: Q07817)
A, C: 92 - 207 (UniProt: P10415)

PDB	External Database	Details
Val 101	Gly 101	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	38799.3
Non-Polymers*	Number of molecules	8
	Total formula weight	2232.3
All*	Total formula weight	41031.5

*Water molecules are not included.