2DVR

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.: 33
  • Norm. En. per Res.: -3.813
• 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	-4.7622	0.0	-198.24	-203.0022	96	4	8	8990	0	13	11
A-C	0.0	6.6166	-4.5537	2.0629	8	0	0	356	0	4	2
A-P	-15.0772	0.0	-86.8424	-101.9196	28	3	1	2904	0	2	4
A-Q	0.0	0.0	-49.1981	-49.1981	18	8	0	1587	0	2	2
B-C	-2.5425	0.321	-89.2998	-91.5214	58	2	1	4368	0	12	23
B-P	0.0	0.0	-9.8403	-9.8403	8	1	0	447	0	3	1
B-Q	-19.235	-1.4268	-105.166	-125.8278	33	2	1	3822	0	3	2
P-Q	0.0	0.0	-6.0049	-6.0049	11	0	0	290	0	0	1

Interface residues

• A-B: ALA100A, ALA100B, ALA112A, ALA112B, ALA71A, ALA71B, ALA72A, ALA72B, ASN11A, ASN80A, ASN80B, ASN85A, ASN85B, ASN90A, ASN90B, ASP78A, ASP78B, ASP94A, ASP94B, CYS75A, CYS75B, CYS86A, CYS86B, GLN101A, GLN101B, GLN109A, GLN109B, GLN116A, GLN116B, GLN12A, GLN12B, GLN53A, GLN53B, GLN77A, GLN77B, GLU104A, GLU104B, GLU117A, GLU117B, GLU118A, GLU74A, GLU74B, ILE106A, ILE106B, ILE50A, ILE50B, ILE51A, ILE51B, ILE88A, ILE88B, LEU103B, LEU108A, LEU108B, LEU16A, LEU16B, LEU98A, LEU98B, LYS105A, LYS105B, LYS110A, LYS110B, LYS49A, LYS49B, LYS91A, LYS91B, PHE107A, PHE107B, PHE79A, PHE79B, PHE83A, PHE83B, PRO115A, PRO115B, PRO92A, PRO92B, SER113A, SER113B, SER73A, SER73B, THR102A, THR102B, THR81A, THR81B, THR84A, THR84B, THR93A, THR93B, TYR15A, TYR87A, TYR87B, TYR89A, TYR89B, VAL111A, VAL111B, VAL97A, VAL97B
• A-C: ASP95C, GLN116A, GLN12A, GLN28C, GLU117A, GLU118A, LEU98C, PHE29C
• A-P: ALA15P, ASN90A, ASP46A, ASP94A, ASP95A, CYS86A, GLY11P, GLY13P, GLY14P, GLY43A, GLY9P, ILE50A, ILE51A, ILE88A, ILE96A, LEU10P, LEU42A, LEU44A, LEU98A, LYS49A, LYS8P, LYS91A, PRO45A, PRO92A, THR93A, TYR47A, TYR89A, VAL97A
• A-Q: ASN85A, ASN90A, ASP94A, CYS86A, GLY6Q, GLY7Q, GLY9Q, ILE50A, ILE51A, ILE88A, LYS8Q, LYS91A, PRO92A, THR84A, THR93A, TYR87A, TYR89A, VAL97A
• B-C: ALA112B, ALA23B, ALA30C, ARG34C, ARG8B, ASN11B, ASN66B, ASN67B, ASN90C, ASP38C, ASP46C, ASP94C, ASP95C, GLN109B, GLN116B, GLN12B, GLN14B, GLN28C, GLN35C, GLU117B, GLU118B, GLU65B, GLY43C, GLY7B, HIS17B, HIS27C, ILE96C, LEU13B, LEU16B, LEU42C, LEU44C, LEU64B, LYS110B, LYS18B, LYS22B, LYS26B, LYS26C, LYS41C, LYS91C, PHE29C, PHE33C, PRO115B, PRO32C, PRO36C, PRO45C, SER113B, THR10B, THR93C, TRP25C, TRP31C, TYR15B, TYR89C, VAL19B, VAL20B, VAL37C, VAL40C, VAL97C, VAL9B
• B-P: ASN90B, ASP94B, GLY9P, LEU10P, LYS8P, LYS91B, PRO92B, THR93B
• B-Q: ALA15Q, ASN85B, ASN90B, ASP46B, ASP94B, ASP95B, CYS86B, GLY11Q, GLY13Q, GLY14Q, GLY43B, GLY6Q, GLY7Q, GLY9Q, ILE50B, ILE51B, ILE88B, ILE96B, LEU10Q, LEU42B, LEU44B, LEU98B, LYS49B, LYS8Q, LYS91B, PRO45B, PRO92B, THR84B, THR93B, TYR47B, TYR87B, TYR89B, VAL97B
• P-Q: ALA15P, GLY11P, GLY14P, GLY6Q, GLY7Q, GLY9P, GLY9Q, LEU10P, LEU10Q, LYS8P, LYS8Q