1TF1

crystal structure of the e. coli glyoxylate regulatory protein ligand binding domain

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 68
  • Norm. En. per Res.: -2.8118
• 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	-43.6141	4.063	-151.649	-191.2001	68	10	4	7120	0	8	12
A-C	0.0	0.0	-101.402	-101.402	54	2	4	4376	0	3	5
B-D	0.0	0.0	-104.653	-104.653	52	6	5	4451	0	3	4
C-D	-22.2516	-47.4906	-103.504	-173.2462	76	5	2	5024	6	32	36

Interface residues

• A-B: ALA58A, ALA58B, ARG156A, ARG156B, ARG55A, ARG55B, ARG63A, ARG63B, ASN131A, ASN131B, ASN33A, ASN33B, CYS132A, CYS50B, CYS57A, CYS57B, GLN47A, GLN47B, GLU124A, GLU124B, GLU30A, GLU30B, GLU49A, GLU49B, GLY129A, GLY129B, GLY152A, GLY152B, HIS126A, HIS126B, LEU130A, LEU130B, LEU44A, LEU44B, LEU64A, LEU64B, LYS51A, LYS51B, MET53A, MET53B, MET56A, MET56B, PRO153A, PRO153B, PRO59A, PRO59B, PRO65A, PRO65B, SER151A, SER151B, SER154A, SER154B, SER155A, SER155B, SER52A, SER52B, SER62A, SER62B, SER69A, SER69B, THR31A, THR31B, VAL127A, VAL127B, VAL128A, VAL128B, VAL54A, VAL54B
• A-C: ALA184A, ALA58A, ARG22C, ARG2A, ARG63A, ASN38C, ASN4A, ASP12C, GLN47A, GLN47C, GLN8A, GLN8C, GLU49A, GLU49C, GLY18C, GLY1A, GLY46A, GLY46C, GLY61A, GLY61C, GLY9A, GLY9C, HIS10A, HIS10C, ILE36A, ILE36C, ILE45A, ILE45C, LEU14A, LEU14C, LEU44A, LEU44C, LEU48C, LEU5A, LEU5C, LEU60A, LEU60C, MET11A, MET11C, MET21C, PHE7A, PHE7C, PRO19C, PRO59A, PRO59C, SER15A, SER15C, SER62A, SER62C, TYR6A, TYR6C, VAL34A, VAL43A, VAL43C
• B-D: ARG2D, ARG63B, ARG63D, ASN38B, ASN4D, ASP12B, GLN47B, GLN47D, GLN8B, GLN8D, GLU49D, GLY18B, GLY1D, GLY46B, GLY46D, GLY61B, GLY61D, GLY9B, GLY9D, HIS10B, HIS10D, ILE36B, ILE36D, ILE45B, ILE45D, LEU14B, LEU14D, LEU44B, LEU44D, LEU48B, LEU5D, LEU60B, LEU60D, LYS183B, MET11B, MET11D, MET21B, PHE7B, PHE7D, PRO19B, PRO59B, PRO59D, SER15B, SER15D, SER62B, SER62D, TYR6B, TYR6D, VAL13B, VAL34D, VAL43B, VAL43D
• C-D: ALA136C, ALA136D, ALA173C, ALA80C, ALA80D, ARG115C, ARG115D, ARG170C, ARG170D, ARG174C, ARG174D, ARG2D, ARG37C, ARG37D, ASP139C, ASP139D, ASP140C, ASP140D, ASP171D, GLN113D, GLU112C, GLU112D, GLU116C, GLU116D, GLU3D, GLU81C, GLU81D, GLU82C, GLU82D, GLU83C, GLU83D, GLY118C, GLY118D, GLY142C, GLY142D, GLY181C, GLY1D, GLY39C, HIS10D, ILE137C, ILE87C, ILE87D, LEU108D, LEU111C, LEU111D, LEU5C, LEU75D, LEU76C, LEU79C, LEU79D, LEU84C, LEU84D, MET85C, MET85D, PHE7D, PRO78C, PRO78D, SER135C, SER143C, SER143D, SER177C, SER177D, SER86D, THR178C, THR178D, TYR138C, TYR138D, TYR6C, TYR77C, TYR77D, VAL141C, VAL141D, VAL144C, VAL144D, VAL145C, VAL145D