2V76

crystal structure of the human dok1 ptb domain

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 49
  • Norm. En. per Res.: -2.2597
• Hub Node: A(3)

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	-18.892	-4.8594	-86.9761	-110.7276	49	4	4	3702	3	12	10
A-C	0.0	0.0	-1.3639	-1.3639	7	0	0	164	0	0	0
A-D	0.0	-2.6521	-42.7759	-45.428	36	0	0	2026	0	4	8
B-C	0.0	-3.9779	-44.943	-48.9209	39	0	0	1904	0	4	6
C-D	0.0	0.0	-2.333	-2.333	17	0	0	251	0	9	5

Interface residues

• A-B: ALA100A, ALA32A, ALA32B, ALA42B, ALA96A, ARG103A, ARG29A, ARG29B, ARG34A, ARG34B, ARG75A, GLN104A, GLN43B, GLN45B, GLN6B, GLU31A, GLU31B, GLU33A, GLU33B, GLU48A, GLU48B, GLY41B, GLY4A, HIS102A, ILE46B, LEU38A, LEU38B, LEU3A, LEU47B, PRO2A, PRO49A, PRO49B, PRO54A, PRO77A, SER44B, SER52A, SER52B, SER5A, SER5B, THR36A, THR36B, THR39B, THR99A, TRP8B, TYR55A, VAL27B, VAL30A, VAL30B, VAL40B
• A-C: GLU48C, ILE46A, LEU50C, PRO2A, PRO49C, PRO77C, THR39C
• A-D: ALA16D, ALA17D, ALA42D, ALA88A, ARG13D, ARG19D, ASP92A, CYS20D, GLN6A, GLN86A, GLN89A, GLU15D, GLU18D, GLU48D, GLY21D, GLY24A, GLY41A, GLY41D, HIS23D, ILE46A, LEU22D, LEU50D, LYS65A, PHE7A, SER25A, THR10A, THR14D, THR39D, THR87A, TRP8A, TYR26A, VAL27A, VAL40A, VAL40D, VAL66A, VAL9A
• B-C: ALA16C, ALA17C, ALA42B, ALA42C, ALA88B, ARG13C, ARG19C, ASP92B, CYS20C, GLN43B, GLN43C, GLN45B, GLN6B, GLN86B, GLN89B, GLU15C, GLU18C, GLU48C, GLY21C, GLY24B, GLY41C, HIS23C, LEU22C, LEU50C, LYS65B, PHE7B, SER25B, SER44B, THR10B, THR14C, THR39C, THR87B, TRP8B, TYR26B, VAL27B, VAL40B, VAL40C, VAL66B, VAL9B
• C-D: ALA32C, ALA42D, ARG103C, ARG34C, ARG34D, ARG75C, GLN104C, GLU31D, GLU33C, GLU33D, GLU48D, ILE46D, LEU57C, PRO49D, PRO54C, PRO77D, SER52D