3D7V

crystal structure of mcl-1 in complex with an mcl-1 selective bh3 ligand

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -5.3297
• Hub Node: A(1)

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	-52.5477	-64.2569	-304.242	-421.0466	79	11	14	11229	8	23	22

Interface residues

• A-B: ALA227A, ALA59B, ALA62B, ALA69B, ALA71B, ALA74B, ARG215A, ARG222A, ARG233A, ARG248A, ARG263A, ARG53B, ARG63B, ARG64B, ARG75B, ASN223A, ASN260A, ASN70B, ASP236A, ASP256A, ASP67B, GLN221A, GLN229A, GLN60B, GLU225A, GLU317A, GLU55B, GLU61B, GLU68B, GLY217A, GLY219A, GLY230A, GLY257A, GLY262A, GLY66B, HIS224A, HIS252A, HIS320A, ILE237A, ILE251A, ILE264A, ILE56B, ILE58B, ILE65B, LEU232A, LEU235A, LEU246A, LEU267A, LYS234A, LYS244A, MET231A, MET250A, PHE228A, PHE254A, PHE270A, PHE318A, PHE319A, PRO54B, SER245A, SER247A, SER255A, SER269A, THR212A, THR226A, THR259A, THR266A, TRP261A, TRP305A, TRP57B, TYR72B, TYR73B, VAL216A, VAL220A, VAL249A, VAL253A, VAL258A, VAL265A, VAL274A, VAL321A