1ZR3

crystal structure of the macro-domain of human core histone variant macroh2a1.1 (form b)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 55
  • Norm. En. per Res.: -3.4311
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-11.0095	-4.6372	-31.5543	-47.201	32	2	0	1157	0	22	25
A-C	0.0	-6.6353	-52.8943	-59.5296	53	8	0	2986	0	9	14
A-D	-49.8998	-43.6672	-95.1449	-188.7118	55	6	0	3639	5	18	21
B-C	-10.937	-14.8122	-46.1798	-71.929	45	9	0	2251	1	23	18
B-D	0.0	0.0	-24.4385	-24.4385	36	0	0	1577	0	5	6

Interface residues

• A-B: ALA261B, ALA296A, ALA296B, ALA298A, ALA298B, ASP299A, ASP299B, ASP300A, ASP300B, GLU240B, GLU244A, GLU244B, HIS263A, HIS263B, LEU297A, LEU297B, LEU303A, LEU303B, LYS248A, LYS248B, LYS301A, LYS301B, LYS302A, LYS302B, PHE269A, PHE269B, SER340A, SER340B, SER341A, SER341B, SER342A, SER342B
• A-C: ALA255A, ALA257A, ALA296A, ALA330A, ASN249A, ASN293A, ASP299A, ASP300A, CYS294A, GLN195C, GLU253A, GLU285A, GLU288A, GLY194C, GLY256A, ILE331A, LEU191C, LEU193C, LEU286A, LEU295A, LEU297A, LYS196C, LYS248A, LYS282A, LYS289A, LYS292A, LYS301A, LYS302C, LYS329A, LYS344C, MET339A, MET339C, PHE192C, PHE335A, PHE335C, SER190C, SER333A, SER337A, SER337C, SER340A, SER340C, SER341A, SER341C, SER342C, THR188C, THR338A, THR338C, TYR334A, VAL254A, VAL259A, VAL291A, VAL336A, VAL336C
• A-D: ALA255D, ALA257D, ALA258D, ALA296D, ARG246D, ASN249D, ASN293D, ASP208A, ASP210A, ASP299D, ASP300D, GLN195A, GLN198A, GLU244D, GLU253D, GLY182A, GLY194A, GLY250D, GLY256D, ILE207A, LEU186A, LEU193A, LEU197A, LEU243D, LEU245D, LEU252D, LEU297D, LYS189A, LYS196A, LYS247D, LYS248D, LYS268A, LYS289D, LYS301D, LYS302A, LYS302D, LYS304A, LYS344A, PHE183A, PHE220D, PRO251D, PRO266A, SER187A, SER190A, SER206A, SER209A, SER340D, THR184A, THR188A, THR218D, THR345A, TYR347A, VAL185A, VAL200A, VAL254D
• B-C: ALA202B, ALA257C, ALA258C, ALA261C, ALA296C, ARG246C, ASN249C, ASP208B, ASP210B, ASP299C, ASP300C, GLN198B, GLU244C, GLU253C, GLY182B, GLY250C, ILE207B, LEU186B, LEU245C, LEU252C, LEU297C, LYS196B, LYS247C, LYS248C, LYS268B, LYS301C, LYS302B, LYS302C, LYS304B, LYS344B, PHE183B, PHE220C, PHE269C, PRO251C, SER190B, SER260C, SER340C, THR184B, THR188B, THR345B, TYR334C, TYR347B, VAL185B, VAL200B, VAL259C
• B-D: ALA296B, ASN249B, ASN293B, ASP299B, ASP300B, CYS294B, GLN195D, GLU288B, GLY194D, LEU193D, LEU286B, LEU295B, LEU297B, LYS248B, LYS282B, LYS289B, LYS292B, LYS302D, LYS344D, MET339B, MET339D, PHE192D, PHE335D, SER333B, SER337B, SER337D, SER340B, SER340D, SER341D, SER342D, THR338B, THR338D, TYR334B, VAL291B, VAL336B, VAL336D