3ALN

crystal structure of human non-phosphorylated mkk4 kinase domain complexed with amp-pnp

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 135
  • Norm. En. per Res.: -3.1041
• 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	-113.2689	45.117	-350.908	-419.0599	135	45	7	14435	2	56	37
A-C	0.0	0.0	-4.1672	-4.1672	10	2	0	214	0	4	4
B-C	-2.4104	-4.7651	-39.0659	-46.2414	60	0	0	2947	0	22	24

Interface residues

• A-B: ALA167A, ALA167B, ALA374A, ALA374B, ALA378A, ALA99A, ALA99B, ARG154A, ARG154B, ARG170A, ARG170B, ARG239A, ARG373A, ARG373B, ASN222B, ASN242A, ASP101A, ASP101B, ASP150A, ASP150B, ASP157A, ASP157B, ASP238A, ASP96A, ASP96B, CYS158B, CYS177A, CYS177B, CYS379A, GLN126A, GLN126B, GLN142B, GLN163A, GLN163B, GLN93A, GLN93B, GLU100A, GLU100B, GLU139B, GLU171B, GLU179A, GLU179B, GLU221B, GLU371A, GLU371B, GLU372A, GLU372B, GLU376A, GLU376B, GLU92A, GLU92B, GLY125A, GLY125B, GLY166A, GLY166B, GLY241A, GLY85A, GLY85B, HIS121A, HIS121B, HIS218B, HIS94A, HIS94B, ILE127A, ILE127B, ILE367A, ILE367B, ILE89A, ILE89B, LEU102A, LEU102B, LEU146A, LEU146B, LEU149A, LEU149B, LEU168A, LEU168B, LEU210A, LEU210B, LEU362A, LEU362B, LEU368A, LEU368B, LEU87A, LEU87B, LYS143A, LYS207A, LYS207B, LYS214A, LYS359B, LYS363B, LYS86A, LYS86B, LYS88A, LYS88B, MET128A, MET128B, MET153A, MET153B, MET178A, MET178B, MET369B, PHE164A, PHE164B, PHE169A, PHE169B, PHE97A, PHE97B, PRO123A, PRO123B, PRO159A, PRO159B, PRO91A, PRO91B, SER124A, SER124B, SER156B, SER240A, SER83A, SER84A, SER84B, SER90A, SER90B, THR98A, THR98B, TRP175B, TRP95A, TRP95B, TYR160A, TYR165A, TYR165B, TYR370A, TYR370B, VAL120A, VAL130B
• A-C: GLU372A, ILE127C, LEU105C, LEU368A, LYS103C, LYS118C, LYS359A, LYS363A, PRO365A, VAL120C
• B-C: ALA374C, ALA378C, ARG239C, ARG287B, ARG355B, ARG373B, ARG373C, ASN242C, ASN330B, ASN342B, ASN345B, ASP238C, ASP351B, ASP386C, CYS379C, CYS382C, GLN163C, GLU179C, GLU360B, GLU372C, GLU376C, GLY241C, HIS364B, ILE127C, ILE243C, ILE341B, LEU180C, LEU210C, LEU346B, LEU361B, LEU368B, LYS118C, LYS207C, LYS244C, LYS354B, LYS357B, LYS359B, LYS363B, MET128C, MET181C, MET369B, PHE164C, PHE340B, PHE343B, PHE366B, PRO338B, PRO356B, PRO365B, SER182C, SER240C, SER337B, SER339B, SER353B, THR349B, TYR160C, TYR165C, TYR370C, VAL120C, VAL375C, VAL377C