1WTF

crystal structure of bacillus thermoproteolyticus ferredoxin variants containing unexpected [3fe-4s] cluster that is linked to coenzyme a at 1.6 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 4
  • Norm. En. per Res.: -0.0989
• 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	6.1443	-0.0079	6.1364	2	0	0	1	0	4	10
A-C	0.0	77.6286	-48.5789	29.0496	38	1	0	2119	0	14	41
A-D	0.0	0.0	-0.0032	-0.0032	2	0	0	2	0	1	3
B-D	0.0	15.4907	-16.0916	-0.6009	27	0	0	782	0	11	24
C-D	0.0	0.0	-0.3955	-0.3955	4	0	0	48	0	0	5

Interface residues

• A-B: ASP76A, ASP76B
• A-C: ALA69A, ALA69C, ASP52A, ASP52C, ASP56A, ASP56C, ASP64A, ASP64C, ASP70A, ASP70C, GLU59A, GLU59C, GLU71A, GLU71C, GLU81A, GLU81C, GLY60A, GLY60C, LYS2A, LYS2C, LYS67A, LYS67C, LYS79A, LYS79C, MET54A, MET54C, MET55A, MET55C, PHE58A, PHE58C, PHE73A, PHE73C, PHE80A, PHE80C, PRO1A, PRO1C, VAL68A, VAL68C
• A-D: GLU81A, PRO1D
• B-D: ALA69B, ALA69D, ASN78B, ASP64D, ASP70B, ASP70D, GLU59D, GLU71B, GLU71D, GLU81B, GLU81D, ILE51D, LYS2B, LYS2D, LYS67D, LYS79B, LYS79D, MET55D, PHE58B, PHE58D, PHE80B, PHE80D, PRO1B, PRO72B, TYR3B, VAL68B, VAL68D
• C-D: GLU45C, GLU45D, PRO1C, PRO1D