2G46

structure of vset in complex with mek27 h3 pept. and cofactor product sah

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 49
  • Norm. En. per Res.: -2.9408
• 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-C	-3.6975	-27.3869	-113.015	-144.0994	49	10	1	4976	0	10	9
A-B	-16.5249	44.9436	-128.607	-100.1883	83	12	2	7100	0	18	20
B-D	-3.6971	-27.3852	-115.487	-146.5693	50	8	1	5010	0	10	9

Interface residues

• A-C: ALA209C, ALA212C, ALA213C, ALA217C, ALA219C, ALA59A, ARG214C, ARG54A, ARG77A, ARG88A, ASN40A, ASN56A, ASP107A, ASP108A, ASP41A, ASP49A, GLU48A, GLU79A, GLY106A, GLY221C, GLY44A, HIS78A, ILE103A, ILE92A, LEU47A, LEU51A, LEU80A, LEU84A, LYS211C, LYS55A, MET57A, MET60A, MET87A, PHE52A, PHE90A, PRO218C, SER104A, SER216C, SER53A, SER58A, THR210C, THR220C, THR45A, THR81A, TRP110A, TRP43A, TYR105A, TYR109A, TYR50A
• A-B: ALA46A, ALA46B, ALA61A, ALA61B, ALA66A, ALA66B, ARG38A, ARG38B, ARG5A, ARG5B, ARG86A, ARG86B, ARG88A, ARG88B, ASN3A, ASN3B, ASN40B, ASP41A, ASP41B, ASP42A, ASP42B, ASP49A, ASP49B, ASP4A, ASP4B, CYS33A, CYS33B, CYS35A, CYS35B, GLU31A, GLU31B, GLU32A, GLU32B, GLU48A, GLU48B, GLY44A, GLY44B, GLY63A, GLY63B, GLY65A, GLY65B, HIS39A, HIS39B, ILE36A, ILE36B, ILE67A, ILE67B, LEU29A, LEU29B, LEU34A, LEU34B, LEU47A, LEU47B, LEU51A, LEU51B, LEU62A, LEU62B, LYS10A, LYS10B, LYS85A, LYS85B, LYS9A, MET1A, MET1B, MET60A, MET60B, MET87A, MET87B, PHE2A, PHE2B, PHE64A, PHE64B, THR45A, THR45B, TRP43A, TRP43B, TYR16A, TYR16B, TYR50A, TYR50B, VAL30B, VAL8A, VAL8B
• B-D: ALA209D, ALA212D, ALA213D, ALA217D, ALA219D, ALA59B, ARG214D, ARG54B, ARG77B, ARG88B, ASN40B, ASN56B, ASP107B, ASP108B, ASP41B, ASP49B, GLU48B, GLU79B, GLY106B, GLY221D, GLY44B, GLY83B, HIS78B, ILE103B, ILE92B, LEU47B, LEU51B, LEU80B, LEU84B, LYS211D, LYS55B, MET57B, MET60B, MET87B, PHE52B, PHE90B, PRO218D, SER104B, SER216D, SER53B, SER58B, THR210D, THR220D, THR45B, THR81B, TRP110B, TRP43B, TYR105B, TYR109B, TYR50B