3NMJ

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

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 15
  • Norm. En. per Res.: -1.2587
• 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	17.3579	-73.8106	-56.4527	55	3	7	3578	0	18	14
A-C	0.0	7.2785	-25.832	-18.5536	16	0	0	894	0	3	8
A-D	-6.8732	29.297	-25.2409	-2.8171	37	6	0	1776	0	16	25
B-C	0.0	37.5387	-5.9422	31.5965	23	0	0	530	0	9	22
B-D	0.0	7.2341	-26.1152	-18.881	15	0	0	904	0	3	8
C-D	0.0	17.5882	-74.3201	-56.7319	55	3	7	3611	0	18	14

Interface residues

• A-B: ALA35A, ALA62A, ALA62B, ALA63A, ALA63B, ALA66A, ALA66B, ARG34A, ARG34B, ASP39A, 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, PRO53A, PRO53B, PRO56A, PRO56B, SER52B, SER55A, SER55B, TYR105A, VAL69A, VAL69B
• A-C: ASP50C, ASP54A, ASP54C, GLU49C, LYS51A, LYS51C, MET58A, MET58C, PRO53A, PRO53C, SER52A, SER52C, SER55A, SER55C, THR44A, THR44C
• A-D: ALA1A, ALA1D, ALA35A, ALA35D, ALA40A, 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: ALA1C, ALA43B, ALA43C, ASP2B, ASP2C, ASP39B, ASP39C, GLU49B, GLU49C, GLU4B, GLU4C, LEU3B, LEU3C, LYS42B, LYS42C, MET58B, MET58C, PRO45B, PRO46B, PRO53B, PRO53C, THR44B, THR44C
• B-D: ASP50B, ASP54B, ASP54D, GLU49B, LYS51B, LYS51D, MET58B, MET58D, PRO53B, PRO53D, SER52B, SER52D, SER55B, SER55D, THR44B
• C-D: ALA35D, ALA62C, ALA62D, ALA63C, ALA63D, ALA66C, ALA66D, ARG34C, ARG34D, ASP39D, 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, PRO53D, PRO56C, PRO56D, SER52C, SER55C, SER55D, TYR105D, VAL69C, VAL69D