2Q2A

crystal structures of the arginine-, lysine-, histidine- binding protein artj from the thermophilic bacterium geobacillus stearothermophilus

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 47
  • Norm. En. per Res.: -1.1658
• 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	-16.644	24.195	106.062	113.613	58	16	1	4176	0	16	18
A-C	0.0	1.872	-56.6645	-54.7925	47	3	0	2967	0	21	21
B-D	0.0	1.0803	-1.9459	-0.8656	18	0	0	455	0	3	11
C-D	0.0	0.0	-0.0334	-0.0334	3	0	0	26	0	0	1

Interface residues

• A-B: ALA160A, ALA160B, ALA30A, ALA30B, ASN133A, ASN133B, ASN166A, ASN166B, ASN65A, ASN65B, ASP28A, ASP28B, ASP69A, ASP69B, GLN132A, GLN132B, GLU155A, GLU155B, GLU163A, GLU163B, GLY167A, GLY167B, GLY168A, GLY168B, GLY67A, GLY67B, ILE161A, ILE161B, ILE66A, ILE66B, LEU164A, LEU164B, LEU165A, LEU165B, LYS152A, LYS152B, LYS153A, LYS153B, MET162A, MET162B, PHE154A, PHE154B, PRO149A, PRO149B, PRO70A, PRO70B, THR156A, THR156B, THR157A, THR157B, TRP68A, TRP68B, VAL158A, VAL158B, VAL159A, VAL159B, VAL169A, VAL169B
• A-C: ALA121A, ALA32C, ASN120A, ASN180C, ASN185C, ASN186C, ASN188C, ASN199A, ASP123A, ASP196A, ASP48C, GLN38C, GLU139A, GLU142A, GLU181C, GLU234C, GLY126A, GLY146A, GLY148A, GLY241C, GLY44C, HIS150A, ILE235C, LEU122A, LEU124A, LEU144A, LYS119A, LYS125A, LYS127A, LYS143A, LYS147A, LYS184C, LYS198A, LYS237C, LYS238C, LYS242C, LYS39C, PHE145A, PHE240C, PHE45C, PRO149A, PRO187C, PRO33C, TRP239C, TYR36C, VAL183C, VAL43C
• B-D: ASN185D, ASN188D, ASN199B, GLU181D, GLY126B, GLY241D, LEU122B, LEU144B, LYS125B, LYS143B, LYS184D, LYS198B, LYS237D, LYS238D, PHE145B, PHE240D, PRO187D, TRP239D
• C-D: LYS198C, LYS198D, PRO197D