2DVQ

crystal structure analysis of the n-terminal bromodomain of human brd2 complexed with acetylated histone h4 peptide

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-Q
  • Int. Res.: 43
  • Norm. En. per Res.: -3.7007
• Hub Node: A(4)

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	0.0	0.0	-206.908	-206.908	94	4	8	8981	0	14	11
A-C	0.0	7.0561	-4.9143	2.1417	9	0	0	356	0	4	3
A-P	-9.2865	0.0	-80.8628	-90.1493	28	5	1	2796	0	2	2
A-Q	-9.8383	0.0	-81.1372	-90.9755	26	8	0	2609	0	5	4
B-C	-2.5976	0.9165	-94.2163	-95.8974	58	2	1	4519	0	12	23
B-P	0.0	0.0	-8.6355	-8.6355	9	2	0	447	0	3	1
B-Q	-20.5408	-0.4417	-138.147	-159.1294	43	29	1	6312	0	4	9
P-Q	0.0	0.0	-10.7935	-10.7935	10	2	0	384	0	0	2

Interface residues

• A-B: ALA137A, ALA137B, ALA138A, ALA138B, ALA166A, ALA166B, ALA178A, ALA178B, ASN146A, ASN146B, ASN151A, ASN151B, ASN156A, ASN156B, ASN77A, ASP144A, ASP144B, ASP160A, ASP160B, CYS141A, CYS141B, CYS152A, CYS152B, GLN119A, GLN119B, GLN143A, GLN143B, GLN167A, GLN167B, GLN175A, GLN175B, GLN182A, GLN182B, GLN78A, GLN78B, GLU140A, GLU140B, GLU170A, GLU170B, GLU183A, GLU183B, GLU184A, ILE116A, ILE116B, ILE117A, ILE117B, ILE154A, ILE154B, ILE172A, ILE172B, LEU164A, LEU164B, LEU174A, LEU174B, LEU82A, LEU82B, LYS115A, LYS115B, LYS157A, LYS157B, LYS171A, LYS171B, LYS176A, LYS176B, PHE145A, PHE145B, PHE149A, PHE149B, PHE173A, PHE173B, PRO158A, PRO158B, PRO181A, PRO181B, SER139A, SER139B, SER179A, SER179B, THR147A, THR147B, THR150A, THR150B, THR159A, THR159B, THR168A, THR168B, TYR153A, TYR153B, TYR155A, TYR155B, VAL163A, VAL163B, VAL177A, VAL177B
• A-C: ASP161C, GLN182A, GLN78A, GLN94C, GLU183A, GLU184A, LEU164C, PHE95C, THR168C
• A-P: ALA15P, ASN156A, ASP112A, ASP160A, ASP161A, CYS152A, GLY109A, GLY11P, GLY13P, GLY14P, GLY9P, ILE116A, ILE117A, ILE154A, ILE162A, LEU108A, LEU10P, LEU110A, LEU164A, LYS157A, LYS8P, PRO111A, PRO158A, THR159A, TYR113A, TYR153A, TYR155A, VAL163A
• A-Q: ARG3Q, ASN151A, ASN156A, ASP160A, CYS152A, GLN167A, GLY2Q, GLY4Q, GLY6Q, GLY7Q, GLY9Q, ILE116A, ILE117A, ILE154A, LEU164A, LYS157A, LYS171A, LYS5Q, LYS8Q, PRO158A, SER1Q, THR150A, THR159A, TYR153A, TYR155A, VAL163A
• B-C: ALA178B, ALA89B, ALA96C, ARG100C, ARG74B, ASN132B, ASN133B, ASN156C, ASN77B, ASP104C, ASP112C, ASP160C, ASP161C, GLN101C, GLN182B, GLN78B, GLN80B, GLN94C, GLU131B, GLU183B, GLU184B, GLY109C, GLY73B, HIS83B, HIS93C, ILE162C, LEU108C, LEU110C, LEU130B, LEU164C, LEU79B, LEU82B, LYS107C, LYS157C, LYS176B, LYS84B, LYS88B, LYS92B, LYS92C, PHE95C, PHE99C, PRO102C, PRO111C, PRO181B, PRO98C, SER179B, THR159C, THR76B, TRP91C, TRP97C, TYR155C, TYR81B, VAL103C, VAL106C, VAL163C, VAL75B, VAL85B, VAL86B
• B-P: ASN156B, ASP160B, GLY9P, LEU10P, LYS157B, LYS8P, PRO158B, THR159B, TYR155B
• B-Q: ALA15Q, ARG3Q, ASN151B, ASN156B, ASP112B, ASP160B, ASP161B, CYS152B, GLN119B, GLY109B, GLY11Q, GLY13Q, GLY14Q, GLY2Q, GLY4Q, GLY6Q, GLY7Q, GLY9Q, HIS114B, ILE116B, ILE117B, ILE154B, ILE162B, LEU108B, LEU10Q, LEU110B, LEU164B, LYS115B, LYS118B, LYS157B, LYS5Q, LYS8Q, PRO111B, PRO120B, PRO158B, SER1Q, THR147B, THR150B, THR159B, TYR113B, TYR153B, TYR155B, VAL163B
• P-Q: GLY11P, GLY14P, GLY6Q, GLY7Q, GLY9P, GLY9Q, LEU10P, LEU10Q, LYS8P, LYS8Q