2OO1

crystal structure of the bromo domain 2 of human bromodomain containing protein 3 (brd3)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 47
  • Norm. En. per Res.: -3.9377
• 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	-29.1929	-56.1079	-99.7704	-185.0712	47	5	0	3994	5	38	31
A-C	0.0	1.0862	-0.6943	0.3919	8	0	0	186	0	0	3
A-D	-50.0171	-9.0465	-169.376	-228.4396	71	8	2	7059	0	26	32
B-C	-48.6485	-8.5709	-163.334	-220.5534	73	6	2	6971	0	26	34
B-D	0.0	0.0	-3.8663	-3.8663	9	2	0	232	0	4	1
C-D	-21.0117	-40.3772	-95.9059	-157.2949	48	2	0	3804	5	39	32

Interface residues

• A-B: ALA340B, ARG313A, ARG320A, ARG368A, ARG411A, ASN391B, ASP316A, ASP347B, ASP350B, ASP366A, ASP394B, CYS315A, GLU310A, GLU321A, GLU344B, GLU396B, HIS311A, HIS327A, HIS346B, HIS349B, HIS395B, ILE318A, ILE351B, LEU308A, LEU312A, LEU343B, LEU345B, LYS307A, LYS326A, LYS353B, LYS362A, LYS389B, LYS414A, MET365A, MET410A, MET415A, PRO392B, PRO393B, PRO416A, SER309A, SER317A, SER324A, TYR314A, TYR348B, TYR390B, VAL397B, VAL407A
• A-C: ARG411A, ARG411C, LYS414A, LYS414C, PRO416A, PRO416C, TYR314A, TYR314C
• A-D: ALA377A, ALA377D, ALA378A, ALA378D, ALA399A, ALA399D, ALA401A, ALA401D, ALA413A, ALA413D, ARG381A, ARG381D, ARG402A, ARG402D, ARG411A, ARG411D, ASN386A, ASN386D, ASN391A, ASN391D, ASP394A, ASP394D, ASP406A, ASP406D, CYS387A, CYS387D, GLN405A, GLN405D, GLU409A, GLU409D, HIS395A, HIS395D, ILE351A, ILE351D, ILE352A, ILE352D, LEU382A, LEU382D, LYS389A, LYS389D, LYS403A, LYS403D, LYS414A, LYS414D, MET410A, MET410D, MET415A, MET415D, PHE384A, PHE384D, PHE408A, PHE408D, PHE412A, PHE412D, PRO392A, PRO392D, PRO393A, PRO393D, PRO416A, PRO416D, SER385A, SER385D, TYR314A, TYR388A, TYR388D, TYR390A, TYR390D, VAL398A, VAL398D, VAL407A, VAL407D
• B-C: ALA377B, ALA377C, ALA378B, ALA378C, ALA399B, ALA399C, ALA401B, ALA401C, ALA413B, ALA413C, ARG381B, ARG381C, ARG402B, ARG402C, ARG411B, ARG411C, ASN386B, ASN386C, ASN391B, ASN391C, ASP394B, ASP394C, ASP406B, ASP406C, CYS387B, CYS387C, GLN374B, GLN374C, GLN405B, GLN405C, GLU409B, GLU409C, HIS395B, HIS395C, ILE351B, ILE351C, ILE352B, ILE352C, LEU382B, LEU382C, LYS389B, LYS389C, LYS403B, LYS403C, LYS414B, LYS414C, MET410B, MET410C, MET415B, MET415C, PHE384B, PHE384C, PHE408B, PHE408C, PHE412B, PHE412C, PRO392B, PRO392C, PRO393B, PRO393C, PRO416B, PRO416C, SER385B, SER385C, TYR314C, TYR388B, TYR388C, TYR390B, TYR390C, VAL398B, VAL398C, VAL407B, VAL407C
• B-D: ARG402B, ARG402D, ASN391B, ASP394B, ASP394D, PRO392B, PRO392D, PRO393B, PRO393D
• C-D: ALA340D, ALA342D, ARG313C, ARG320C, ARG411C, ASN391D, ASP316C, ASP347D, ASP350D, ASP366C, ASP394D, CYS315C, GLU310C, GLU321C, GLU341D, GLU344D, GLU396D, HIS311C, HIS327C, HIS346D, HIS349D, HIS395D, ILE318C, ILE351D, LEU312C, LEU319C, LEU323C, LEU343D, LEU345D, LYS326C, LYS353D, LYS362C, LYS389D, LYS414C, MET365C, MET410C, MET415C, PRO392D, PRO393D, PRO416C, SER309C, SER317C, TYR314C, TYR330C, TYR348D, TYR390D, VAL397D, VAL407C