3T96

iodowillardiine bound to a double cysteine mutant (a452c/s652c) of the ligand binding domain of glua2

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 108
  • Norm. En. per Res.: -2.3126
• Hub Node: B(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
B-D	-63.306	-3.1553	-183.299	-249.7602	108	4	4	9108	3	42	34
B-F	-19.7231	-1.1695	-55.9114	-76.804	47	1	0	2534	5	30	28
D-F	0.0	-1.0409	-6.2817	-7.3227	14	0	0	485	0	6	9

Interface residues

• B-D: ALA153B, ALA223B, ALA233B, ALA233D, ALA237B, ALA237D, ARG149B, ARG149D, ARG96B, ARG96D, ASN232B, ASN232D, ASN235B, ASN235D, ASN242B, ASN242D, ASP101B, ASP101D, ASP216B, ASP216D, ASP248B, ASP248D, GLN244B, GLN244D, GLU145B, GLU145D, GLU243B, GLU243D, GLU97B, GLU97D, GLU98B, GLU98D, GLY219B, GLY219D, GLY221B, GLY221D, GLY245B, GLY245D, ILE100B, ILE100D, ILE152B, ILE152D, ILE222B, ILE222D, ILE92B, ILE92D, LEU109B, LEU109D, LEU215B, LEU215D, LEU236B, LEU236D, LEU239B, LEU239D, LEU241B, LEU241D, LEU246B, LEU246D, LEU247B, LEU247D, LEU94B, LEU94D, LYS104B, LYS104D, LYS151B, LYS151D, LYS218B, LYS218D, LYS226B, LYS226D, LYS240B, LYS240D, LYS249B, LYS249D, LYS251D, MET107B, MET107D, PHE102B, PHE102D, PHE106B, PHE106D, PHE146B, PHE146D, PHE155B, PHE155D, PRO105B, PRO105D, SER103B, SER103D, SER108B, SER108D, SER142B, SER142D, SER150B, SER150D, SER217B, SER217D, THR91B, THR91D, THR93B, THR93D, TYR220B, VAL238B, VAL238D, VAL95B, VAL95D, VAL99B, VAL99D
• B-F: ALA134F, ALA165F, ALA41B, ARG163F, ARG172F, ARG180F, ASN22B, ASN242B, ASN29B, ASN72F, ASP139F, ASP257B, ASP38B, ASP58F, GLN244B, GLU166F, GLU176F, GLU243B, GLU30B, GLU33B, GLU42B, GLY245B, HIS46B, LEU241B, LEU246B, LEU247B, LEU250B, LEU39B, LYS183F, LYS185F, LYS20B, LYS240B, LYS249B, LYS253B, LYS258B, LYS45B, LYS50B, LYS60F, PHE170F, PRO167F, SER164F, SER168F, THR131F, TYR161F, TYR51B, VAL169F, VAL171F
• D-F: ALA153D, ALA165F, ARG163F, ASP156D, GLN130F, GLU132F, GLU166F, ILE152D, LYS151D, SER164F, THR131F, THR160F, TYR161F, VAL154D