3C8G

crystal structure of a possible transciptional regulator yggd from shigella flexneri 2a str. 2457t

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 82
  • Norm. En. per Res.: -3.2771
• Hub Node: A(1)

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	-9.8014	-6.3177	-87.3599	-103.4791	75	10	5	4308	0	12	19
B-C	-11.0394	-14.2695	-243.411	-268.72	82	7	22	10216	1	18	13
C-D	-3.0874	14.5443	-63.299	-51.8421	56	0	5	3359	1	8	7

Interface residues

• A-B: ALA126A, ALA126B, ALA131A, ALA131B, ALA134A, ALA134B, ALA138A, ALA138B, ALA141B, ALA146A, ALA146B, ALA155A, ALA155B, ALA159A, ALA159B, ARG147A, ARG147B, ASN125A, ASN125B, ASP130A, ASP130B, ASP139B, ASP14A, ASP14B, ASP7A, ASP7B, GLU145B, GLU166A, GLU6A, GLU6B, GLY150A, GLY150B, ILE122A, LEU10A, LEU10B, LEU128A, LEU128B, LEU132A, LEU132B, LEU13A, LEU13B, LEU156A, LEU156B, LEU158A, LEU158B, LYS153A, LYS165A, PHE140B, PHE148A, PHE148B, PHE22A, PHE22B, SER144A, SER144B, THR127A, THR127B, THR154A, THR154B, THR157A, THR157B, THR161A, THR161B, THR162A, THR162B, TRP143A, TRP143B, TYR129A, TYR129B, VAL142A, VAL142B, VAL152A, VAL160A, VAL160B, VAL9A, VAL9B
• B-C: ALA53B, ALA53C, ALA59B, ALA59C, ALA70B, ALA70C, ALA76B, ALA76C, ALA86B, ALA86C, ARG72B, ARG72C, ASN45B, ASP44B, ASP44C, ASP46B, ASP46C, ASP66B, ASP66C, ASP68B, ASP68C, ASP81B, ASP81C, GLN93B, GLN93C, GLU47B, GLU48B, GLU48C, GLU51B, GLU51C, GLY62B, GLY62C, GLY78B, GLY78C, ILE49B, ILE49C, ILE74B, ILE74C, LEU38B, LEU41B, LEU41C, LEU57B, LEU57C, LEU58B, LEU58C, LEU64B, LEU64C, LEU71B, LEU71C, LEU73B, LEU73C, LEU77B, LEU77C, LYS79B, LYS82B, PHE42B, PHE42C, PRO39B, PRO39C, PRO56B, PRO56C, PRO63B, PRO63C, SER40B, SER40C, THR89B, THR89C, TRP83C, TYR52B, TYR52C, TYR75B, TYR75C, TYR85B, TYR85C, VAL43B, VAL43C, VAL50B, VAL50C, VAL54B, VAL54C, VAL69B, VAL69C
• C-D: ALA126C, ALA126D, ALA131C, ALA131D, ALA134C, ALA134D, ALA138C, ALA138D, ALA146C, ALA146D, ALA155C, ALA155D, ARG147C, ARG147D, ASN125C, ASN125D, ASP130C, ASP130D, ASP139C, ASP14C, ASP14D, ASP17C, GLN16C, GLY150C, GLY150D, LEU10C, LEU128C, LEU128D, LEU132C, LEU132D, LEU13C, LEU158C, LEU158D, LYS133D, LYS153C, LYS153D, PHE137C, PHE137D, PHE148C, PHE148D, PHE22C, SER144C, SER149C, SER149D, THR127C, THR127D, THR154C, THR154D, THR157C, THR162D, TRP143C, TYR129C, TYR129D, VAL142C, VAL152C, VAL152D