3P8H

crystal structure of l3mbtl1 (mbt repeat) in complex with a nicotinamide antagonist

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 60
  • Norm. En. per Res.: -1.6623
• 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	-28.8158	10.983	-81.9072	-99.7401	60	6	0	3216	2	21	21
B-C	0.0	-3.4951	-29.7578	-33.2529	53	0	0	1567	1	19	17

Interface residues

• A-B: ARG356A, ARG461A, ARG478B, ASN358A, ASN381A, ASN421B, ASP355A, ASP383A, ASP384A, ASP415A, ASP418A, ASP418B, ASP420A, ASP420B, ASP473B, ASP476B, CYS278A, CYS403B, CYS423B, GLN250A, GLN404B, GLN406B, GLN414A, GLU277A, GLU425B, GLU475B, GLY407B, HIS251A, HIS279A, HIS447B, HIS477B, LEU361A, LEU450B, LYS405B, LYS408B, MET357A, PHE449B, PRO249A, PRO252A, PRO359A, PRO409B, PRO413A, PRO417A, PRO419A, PRO419B, PRO445B, PRO446B, SER276A, SER360B, SER448B, THR385A, TRP382A, TRP402B, TRP424B, TRP493B, TYR386A, TYR416A, TYR490A, VAL451B, VAL474B
• B-C: ARG461B, ASN381B, ASN452C, ASN462B, ASP280B, ASP383B, ASP384B, ASP415B, ASP420C, ASP473C, ASP476C, ASP484C, ASP491C, CYS278B, GLN414B, GLU277B, GLU472C, GLU475C, GLY407C, GLY489C, HIS279B, HIS447C, HIS482C, HIS488C, LEU361C, LEU450C, LEU465B, LYS216C, LYS307B, LYS408C, LYS454C, LYS480C, MET453C, PHE449C, PRO409C, PRO445C, PRO446C, PRO463B, SER276B, SER360C, SER448C, SER470C, SER487C, TRP382B, TRP486B, TRP486C, TYR275B, TYR386B, TYR490B, VAL443C, VAL451C, VAL471C, VAL474C