1N3E

crystal structure of i-crei bound to a palindromic dna sequence i (palindrome of left side of wildtype dna target sequence)

• Total interactions analyzed: 66
• Total true interactions: 3
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 87
  • Norm. En. per Res.: -4.741
• 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	-29.0542	-93.4658	-272.92	-395.44	85	6	10	9619	12	32	27
A-G	0.0	0.0	-0.0802	-0.0802	7	0	0	50	0	0	2
G-H	-42.9364	-97.5807	-271.948	-412.4651	87	12	10	9789	12	32	27

Interface residues

• A-B: ALA134A, ALA14A, ALA214B, ALA334B, ARG251B, ARG51A, ASN136A, ASN206B, ASN336B, ASN6A, ASP137A, ASP18A, ASP20A, ASP218B, ASP220B, ASP337B, GLN101A, GLN247B, GLN250B, GLN299B, GLN301B, GLN47A, GLN50A, GLU208B, GLU261B, GLU61A, GLU8A, GLY15A, GLY19A, GLY215B, GLY219B, GLY21A, GLY221B, LEU10A, LEU11A, LEU135A, LEU13A, LEU210B, LEU211B, LEU213B, LEU255B, LEU258B, LEU291B, LEU295B, LEU297B, LEU335B, LEU55A, LEU58A, LEU91A, LEU95A, LEU97A, LYS100A, LYS139A, LYS207B, LYS248B, LYS257B, LYS296B, LYS298B, LYS300B, LYS339B, LYS48A, LYS57A, LYS7A, LYS96A, LYS98A, PHE16A, PHE209B, PHE216B, PHE254B, PHE294B, PHE54A, PHE94A, PHE9A, SER138A, SER338B, THR246B, THR46A, TRP253B, TRP53A, TYR12A, TYR212B, VAL17A, VAL217B, VAL245B, VAL45A
• A-G: GLN31A, GLN531G, LYS36A, LYS534G, LYS536G, SER32A, SER532G
• G-H: ALA514G, ALA634G, ALA714H, ALA834H, ARG551G, ARG552G, ARG751H, ASN506G, ASN636G, ASN706H, ASN836H, ASP518G, ASP520G, ASP637G, ASP718H, ASP720H, ASP837H, GLN547G, GLN550G, GLN601G, GLN747H, GLN750H, GLN799H, GLN801H, GLU508G, GLU561G, GLU708H, GLU761H, GLY515G, GLY519G, GLY521G, GLY715H, GLY719H, GLY721H, LEU510G, LEU511G, LEU513G, LEU555G, LEU558G, LEU591G, LEU595G, LEU597G, LEU635G, LEU710H, LEU711H, LEU713H, LEU755H, LEU758H, LEU791H, LEU795H, LEU797H, LEU835H, LYS507G, LYS548G, LYS557G, LYS596G, LYS598G, LYS600G, LYS639G, LYS707H, LYS748H, LYS757H, LYS796H, LYS798H, LYS800H, LYS839H, PHE509G, PHE516G, PHE554G, PHE594G, PHE709H, PHE716H, PHE754H, PHE794H, PRO793H, SER638G, SER838H, THR546G, THR746H, TRP553G, TRP753H, TYR512G, TYR712H, VAL517G, VAL545G, VAL717H, VAL745H