3NMK

crystal structure of a zinc mediated dimer for the phenanthroline- modified cytochrome cb562 variant, mbp-phen2

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 14
  • Norm. En. per Res.: -1.2421
• 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	0.0	18.3301	-72.4956	-54.1655	53	1	7	3568	0	18	12
A-C	0.0	7.3733	-24.7629	-17.3896	14	1	0	852	0	3	7
A-D	-18.148	20.8203	-29.9395	-27.2671	38	3	0	1522	0	16	22
B-C	0.0	48.178	-8.5418	39.6362	28	0	0	717	0	9	24
B-D	0.0	7.2995	-24.6877	-17.3882	14	1	0	847	0	3	7
C-D	0.0	18.2681	-72.7351	-54.467	53	4	7	3560	0	18	13

Interface residues

• A-B: ALA35A, ALA62A, ALA62B, ALA63A, ALA63B, ALA66A, ALA66B, ARG34A, ARG34B, ASP54A, ASP54B, ASP60A, ASP60B, ASP73A, ASP73B, ASP74A, CYS59A, CYS59B, GLN41A, GLN41B, GLN71A, GLU57A, GLU57B, GLY64A, GLY64B, GLY70A, GLY70B, ILE67A, ILE67B, LEU38A, LEU38B, LEU68A, LEU68B, LEU76A, LYS104A, LYS104B, LYS42A, LYS42B, LYS77A, MET58A, MET58B, PHE61B, PHE65A, PHE65B, PRO53B, PRO56A, PRO56B, SER52B, SER55A, SER55B, TYR105A, VAL69A, VAL69B
• A-C: ASP50C, ASP54A, ASP54C, GLU49C, LYS51A, LYS51C, MET58C, PRO53A, PRO53C, SER52A, SER52C, SER55A, SER55C, THR44C
• A-D: ALA1A, ALA1D, ALA35A, ALA35D, ALA40A, ALA40D, ALA43A, ALA43D, ASP2A, ASP2D, ASP39A, ASP39D, ASP5A, ASP5D, GLN41A, GLN41D, GLU49A, GLU49D, GLU4A, GLU4D, LEU38A, LEU38D, LEU3A, LEU3D, LYS42A, LYS42D, MET58A, MET58D, PHE61A, PHE61D, PRO45A, PRO45D, PRO46A, PRO46D, PRO53A, PRO53D, THR44A, THR44D
• B-C: ALA1B, ALA1C, ALA43B, ALA43C, ASP2B, ASP2C, ASP39B, ASP39C, ASP5B, ASP5C, GLU49B, GLU49C, GLU4B, GLU4C, LEU3B, LEU3C, LYS42B, LYS42C, MET58B, MET58C, PRO45B, PRO45C, PRO46B, PRO46C, PRO53B, PRO53C, THR44B, THR44C
• B-D: ASP50B, ASP54B, ASP54D, GLU49B, LYS51B, LYS51D, MET58B, PRO53B, PRO53D, SER52B, SER52D, SER55B, SER55D, THR44D
• C-D: ALA35D, ALA62C, ALA62D, ALA63C, ALA63D, ALA66C, ALA66D, ARG34C, ARG34D, ASP54C, ASP54D, ASP60C, ASP60D, ASP73C, ASP73D, ASP74D, CYS59C, CYS59D, GLN41C, GLN41D, GLN71D, GLU57C, GLU57D, GLY64C, GLY64D, GLY70C, GLY70D, ILE67C, ILE67D, LEU38C, LEU38D, LEU68C, LEU68D, LEU76D, LYS104C, LYS104D, LYS42C, LYS42D, LYS77D, MET58C, MET58D, PHE61C, PHE65C, PHE65D, PRO53C, PRO56C, PRO56D, SER52C, SER55C, SER55D, TYR105D, VAL69C, VAL69D