3LSL

piracetam bound to the ligand binding domain of glua2 (flop form)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 106
  • Norm. En. per Res.: -2.528
• 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-D	-65.3782	-26.7413	-175.844	-267.9634	106	8	4	8995	4	40	35
A-G	0.0	-0.902	-8.5425	-9.4444	13	1	0	542	0	6	8
D-G	-25.2398	-22.1509	33.9988	-13.3918	47	6	0	2396	3	32	29

Interface residues

• A-D: ALA153A, ALA223A, ALA223D, ALA237A, ALA237D, ARG149A, ARG149D, ARG96A, ARG96D, ASN232A, ASN232D, ASN235A, ASN235D, ASN242A, ASN242D, ASP101A, ASP101D, ASP216A, ASP216D, ASP248A, ASP248D, GLN244A, GLN244D, GLU145A, GLU145D, GLU243A, GLU243D, GLU97A, GLU97D, GLU98A, GLU98D, GLY219A, GLY219D, GLY221A, GLY221D, GLY245A, GLY245D, ILE100A, ILE100D, ILE152A, ILE152D, ILE222A, ILE222D, ILE92A, ILE92D, LEU109A, LEU109D, LEU215A, LEU215D, LEU236A, LEU236D, LEU239A, LEU239D, LEU241A, LEU241D, LEU246A, LEU246D, LEU247A, LEU247D, LEU94A, LEU94D, LYS104A, LYS104D, LYS151A, LYS151D, LYS218A, LYS218D, LYS226A, LYS226D, LYS240A, LYS240D, LYS249A, LYS249D, MET107A, MET107D, PHE102A, PHE102D, PHE106A, PHE146A, PHE146D, PHE155A, PHE155D, PRO105A, PRO105D, SER103A, SER103D, SER108A, SER108D, SER142A, SER142D, SER150A, SER150D, SER217A, SER217D, THR91A, THR91D, THR93A, THR93D, TYR220A, TYR220D, VAL238A, VAL238D, VAL95A, VAL95D, VAL99A, VAL99D
• A-G: ALA153A, ALA165G, ARG163G, GLN130G, GLU132G, GLU166G, ILE152A, LYS151A, SER164G, THR131G, THR160G, TYR161G, VAL154A
• D-G: ALA134G, ALA165G, ALA41D, ARG163G, ARG172G, ARG180G, ASN29D, ASP139G, ASP257D, ASP38D, ASP58G, ASP67G, GLN244D, GLU166G, GLU176G, GLU30D, GLU42D, GLY245D, GLY48D, GLY57G, HIS46D, LEU241D, LEU246D, LEU247D, LEU250D, LEU39D, LYS144G, LYS183G, LYS185G, LYS20D, LYS21D, LYS240D, LYS249D, LYS253D, LYS258D, LYS45D, LYS50D, LYS60G, PHE170G, PRO167G, SER164G, SER168G, THR131G, TYR161G, TYR51D, VAL169G, VAL171G