2B4J

structural basis for the recognition between hiv-1 integrase and ledgf/p75

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 26
  • Norm. En. per Res.: -5.1667
• 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	-62.4085	-31.9863	-377.323	-471.7179	131	17	13	14706	6	21	39
A-C	-35.3456	-21.4697	-77.5182	-134.3335	26	8	1	2762	2	12	13
A-D	0.0	0.9915	-84.5835	-83.592	40	0	4	3976	0	4	7
B-C	0.0	0.0	-84.0649	-84.0649	35	2	4	3850	0	4	7
B-D	-29.9082	-19.7647	-77.8603	-127.5332	26	3	1	2677	2	14	13

Interface residues

• A-B: ALA105A, ALA105B, ALA128A, ALA128B, ALA129A, ALA129B, ALA133A, ALA133B, ALA169A, ALA169B, ALA175A, ALA175B, ALA179A, ALA179B, ALA205A, ALA205B, ALA86A, ALA86B, ALA98A, ALA98B, ARG107A, ARG107B, ARG187B, ARG199A, ARG199B, ASN184A, ASN184B, ASP202A, ASP202B, ASP207A, ASP207B, GLN168A, GLN168B, GLN177A, GLN177B, GLN95A, GLN95B, GLU170A, GLU170B, GLU198A, GLU198B, GLU85A, GLU85B, GLU87A, GLU87B, GLU96A, GLU96B, GLY106A, GLY106B, GLY134A, GLY134B, GLY197A, GLY197B, HIS171A, HIS171B, HIS183A, HIS183B, ILE135A, ILE135B, ILE161A, ILE161B, ILE182A, ILE182B, ILE200A, ILE200B, ILE203A, ILE203B, ILE204A, ILE204B, ILE208A, ILE208B, ILE84A, ILE84B, ILE89A, ILE89B, LEU101A, LEU101B, LEU102A, LEU102B, LEU104A, LEU104B, LEU172A, LEU172B, LYS103A, LYS103B, LYS111A, LYS111B, LYS173A, LYS173B, LYS185A, LYS185B, MET178A, MET178B, PHE100A, PHE100B, PHE181A, PHE181B, PRO109A, PRO109B, PRO90A, PRO90B, SER195A, SER195B, THR174A, THR174B, THR206A, THR206B, TRP108A, TRP108B, TRP131A, TRP131B, TRP132A, TRP132B, TRP61A, TRP61B, TYR83A, TYR83B, TYR99A, TYR99B, VAL110A, VAL110B, VAL165A, VAL165B, VAL176A, VAL176B, VAL180A, VAL180B, VAL201A, VAL201B, VAL88A, VAL88B
• A-C: ALA169A, ALA175A, ALA357C, ARG166A, ASN361C, ASN367C, ASP167A, ASP366C, GLN164A, GLN168A, GLN177A, GLU170A, HIS171A, HIS356C, ILE365C, LEU172A, LEU363C, LEU368C, LYS173A, LYS360C, LYS364C, LYS402C, MET178A, THR174A, THR399C, VAL165A
• A-D: ALA128A, ALA129A, ALA133A, ALA98A, ARG404D, ARG405D, ASN367D, ASP366D, ASP369D, CYS130A, GLN137A, GLN95A, GLY134A, GLY94A, ILE135A, ILE365D, ILE403D, LEU102A, LEU363D, LEU368D, LYS127A, LYS136A, LYS364D, LYS401D, LYS402D, LYS407D, MET413D, PHE406D, SER123A, SER409D, THR122A, THR124A, THR125A, THR399D, TRP131A, TRP132A, TYR99A, VAL126A, VAL370D, VAL408D
• B-C: ALA128B, ALA129B, ALA133B, ALA98B, ARG404C, ARG405C, ASN367C, ASN371C, ASP366C, ASP369C, CYS130B, GLN95B, ILE365C, ILE403C, ILE412C, LEU102B, LEU363C, LEU368C, LYS127B, LYS136B, LYS364C, LYS402C, LYS407C, MET413C, PHE406C, SER123B, SER409C, THR124B, THR125B, TRP131B, TRP132B, TYR99B, VAL126B, VAL370C, VAL408C
• B-D: ALA169B, ALA175B, ALA357D, ARG166B, ASN361D, ASN367D, ASP167B, ASP366D, GLN168B, GLN177B, GLU170B, HIS171B, HIS356D, ILE182B, ILE365D, LEU172B, LEU363D, LEU368D, LYS173B, LYS360D, LYS364D, LYS402D, MET178B, THR174B, THR399D, VAL165B