3PK1

crystal structure of mcl-1 in complex with the baxbh3 domain

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 82
  • Norm. En. per Res.: -3.9234
• Hub Node: A(2)

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	-15.4838	-57.4713	-250.069	-323.0241	84	13	7	10400	5	23	23
A-C	-5.7052	-26.9697	-76.5788	-109.2538	46	1	0	3051	2	14	22
C-D	-17.3694	-57.4541	-246.895	-321.7185	82	11	7	10296	5	23	24

Interface residues

• A-B: ALA227A, ALA54B, ARG215A, ARG233A, ARG248A, ARG263A, ARG310A, ARG65B, ARG78B, ASN223A, ASN260A, ASN73B, ASP236A, ASP256A, ASP68B, ASP71B, CYS62B, GLN221A, GLN77B, GLU225A, GLU317A, GLU61B, GLU69B, GLU75B, GLY217A, GLY219A, GLY230A, GLY257A, GLY262A, GLY271A, GLY314A, GLY67B, HIS224A, HIS252A, HIS320A, ILE251A, ILE264A, ILE268A, ILE66B, LEU213A, LEU232A, LEU235A, LEU246A, LEU267A, LEU59B, LEU63B, LEU70B, LEU76B, LYS234A, LYS57B, LYS58B, LYS64B, MET231A, MET250A, MET74B, PHE228A, PHE254A, PHE270A, PHE273A, PHE315A, PHE318A, PHE319A, SER245A, SER247A, SER255A, SER269A, SER55B, SER60B, SER72B, THR212A, THR259A, THR266A, THR56B, TRP261A, TRP305A, VAL216A, VAL220A, VAL249A, VAL253A, VAL258A, VAL265A, VAL274A, VAL316A, VAL321A
• A-C: ALA227A, ALA227C, ARG222A, ARG222C, ARG233A, ARG233C, ASN223A, ASN223C, ASN282A, ASN282C, ASP218A, ASP218C, GLN221A, GLN221C, GLN229A, GLN229C, GLN283A, GLN283C, GLU225A, GLU225C, GLY230A, GLY230C, HIS224A, HIS224C, HIS277A, HIS277C, ILE281A, ILE281C, LEU232A, LEU232C, LYS234A, LYS234C, LYS276A, LYS276C, LYS279A, LYS279C, MET231A, MET231C, PHE228A, PHE228C, PHE273A, PHE273C, THR226A, THR226C, THR280A, THR280C
• C-D: ALA227C, ALA54D, ARG215C, ARG233C, ARG248C, ARG263C, ARG310C, ARG65D, ARG78D, ASN223C, ASN260C, ASN73D, ASP236C, ASP256C, ASP68D, ASP71D, CYS62D, GLN221C, GLN77D, GLU225C, GLU317C, GLU61D, GLU69D, GLU75D, GLY217C, GLY219C, GLY230C, GLY257C, GLY262C, GLY271C, GLY314C, GLY67D, HIS224C, HIS252C, HIS320C, ILE251C, ILE264C, ILE268C, ILE66D, LEU232C, LEU235C, LEU246C, LEU267C, LEU59D, LEU63D, LEU70D, LEU76D, LYS234C, LYS57D, LYS58D, LYS64D, MET231C, MET250C, MET74D, PHE228C, PHE254C, PHE270C, PHE273C, PHE315C, PHE318C, PHE319C, SER245C, SER255C, SER269C, SER55D, SER60D, SER72D, THR212C, THR259C, THR266C, THR56D, TRP261C, TRP305C, VAL216C, VAL220C, VAL249C, VAL253C, VAL258C, VAL265C, VAL274C, VAL316C, VAL321C