3GYK

the crystal structure of a thioredoxin-like oxidoreductase from silicibacter pomeroyi dss-3

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 64
  • Norm. En. per Res.: -1.3354
• 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	10.2885	-95.7532	-85.4647	64	3	5	4130	0	18	13
A-C	-5.2543	20.8907	-69.0107	-53.3743	53	0	0	3027	0	25	17
A-D	0.0	2.1502	-22.3788	-20.2286	22	1	0	1029	0	8	9
B-C	0.0	1.1468	-8.8669	-7.72	17	1	0	579	0	8	9
B-D	-5.7511	20.7673	-71.6818	-56.6656	54	1	0	3053	0	25	17

Interface residues

• A-B: ALA0A, ALA0B, ALA11A, ALA120A, ALA120B, ALA125A, ALA125B, ALA128A, ALA128B, ALA132A, ALA132B, ALA134A, ALA134B, ARG2A, ARG2B, ARG56A, ARG56B, ARG70B, ASN-1A, ASN10A, ASN10B, ASN1A, ASN1B, ASN7A, ASN7B, ASP117A, ASP117B, ASP3A, ASP3B, ASP8A, ASP8B, GLN129A, GLN129B, GLN135A, GLN135B, GLN77A, GLN77B, GLU119A, GLU119B, GLU122A, GLU122B, HIS126A, HIS126B, ILE127A, ILE127B, LEU133A, LEU133B, LEU5A, LEU5B, LYS136A, LYS136B, PRO121A, PRO121B, PRO9A, PRO9B, SER130A, SER130B, SER4A, SER4B, THR124A, THR124B, TRP58B, VAL123A, VAL123B
• A-C: ALA104C, ALA39C, ALA47A, ALA47C, ALA83C, ALA87C, ARG102C, ARG105C, ARG169A, ARG76A, ASN16A, ASN50A, ASP20A, ASP46A, ASP46C, ASP48A, GLN158C, GLN42C, GLN77A, GLN78A, GLU106C, GLU157C, GLU18A, GLU40C, GLU82A, GLU82C, GLY108C, GLY15A, GLY19A, GLY43C, GLY79A, GLY79C, GLY90C, HIS85C, ILE103C, LEU109C, LEU14A, LEU14C, LEU88C, LYS80A, LYS80C, PHE84C, PRO12A, PRO17A, PRO49A, PRO49C, PRO9A, SER92C, TRP86C, TYR81C, VAL107C, VAL13A, VAL51A
• A-D: ALA0A, ALA172A, ALA47D, ARG2A, ASN-1A, ASN16D, ASN1A, ASN50D, ASP149A, ASP20D, ASP3A, ASP46D, ASP48D, GLU18D, GLY15D, GLY19D, LYS136A, PRO17D, PRO49D, SER4A, VAL45D, VAL51D
• B-C: ALA0B, ALA172B, ALA47C, ARG2B, ASN16C, ASN1B, ASN50C, ASP149B, ASP20C, ASP3B, ASP46C, ASP48C, GLU18C, LYS136B, PRO49C, SER4B, VAL45C
• B-D: ALA104D, ALA39D, ALA47B, ALA47D, ALA83D, ALA87D, ARG102D, ARG105D, ARG169B, ARG76B, ASN16B, ASN50B, ASP20B, ASP46B, ASP46D, ASP48B, GLN158D, GLN42D, GLN77B, GLN78B, GLU106D, GLU157D, GLU18B, GLU40D, GLU82B, GLU82D, GLY108D, GLY15B, GLY19B, GLY43D, GLY79B, GLY79D, GLY90D, HIS85D, ILE103D, LEU109D, LEU14B, LEU14D, LEU88D, LYS80B, LYS80D, PHE84D, PRO12B, PRO17B, PRO49B, PRO49D, PRO9B, SER92D, TRP86D, TYR81D, VAL107D, VAL13B, VAL45D, VAL51B