2JLD

extremely tight binding of ruthenium complex to glycogen synthase kinase 3

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 39
  • Norm. En. per Res.: -3.7062
• 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	-42.2759	21.8929	-217.599	-237.9819	124	11	12	9373	0	40	42
A-E	-41.9367	0.0	-102.604	-144.5407	39	6	7	3547	0	0	0

Interface residues

• A-B: ALA231A, ALA231B, ARG180A, ARG180B, ARG220A, ARG220B, ARG223A, ARG223B, ARG92A, ARG92B, ARG96A, ARG96B, ASN213A, ASN213B, ASN285A, ASN285B, ASN287A, ASN287B, ASN64A, ASN64B, ASP181A, ASP181B, ASP260A, ASP260B, ASP264A, ASP264B, ASP90A, ASP90B, CYS218A, CYS218B, GLN185A, GLN185B, GLN265A, GLN265B, GLN295A, GLN295B, GLU125A, GLU268A, GLU268B, GLU290B, GLY202A, GLY202B, GLY230A, GLY230B, GLY259A, GLY259B, GLY262A, GLY262B, GLY65A, GLY65B, GLY68A, GLY68B, ILE217A, ILE217B, ILE228A, ILE228B, ILE270A, ILE270B, ILE296A, ILE296B, LEU227A, LEU227B, LEU266A, LEU266B, LEU88A, LEU88B, LYS122A, LYS183A, LYS183B, LYS205A, LYS205B, LYS271A, LYS271B, LYS292A, LYS297A, LYS297B, LYS91A, LYS91B, PHE229A, PHE229B, PHE291A, PHE291B, PHE293A, PHE293B, PHE67A, PHE67B, PHE93A, PHE93B, PRO212A, PRO212B, PRO225A, PRO225B, PRO258A, PRO258B, PRO294A, PRO294B, SER203A, SER203B, SER215A, SER215B, SER219A, SER219B, SER261A, SER261B, SER66A, SER66B, THR232A, THR232B, TYR216A, TYR216B, TYR221A, TYR221B, TYR222A, TYR222B, TYR234A, TYR234B, TYR288A, TYR288B, VAL214A, VAL214B, VAL263A, VAL263B, VAL267A, VAL267B
• A-E: ALA1E, ALA42A, ALA4E, ALA5E, ALA6E, ALA7E, ALA8E, ARG102A, ASN129A, ASP49A, GLN52A, GLU53A, GLY2E, GLY3E, LEU128A, LEU98A, LYS36A, LYS86A, PHE115A, PHE116A, PRO44A, PRO51A, SER118A, SER119A, SER35A, SER55A, THR38A, THR39A, THR43A, THR57A, TYR114A, TYR117A, TYR127A, TYR56A, VAL126A, VAL37A, VAL40A, VAL41A, VAL54A