7HVP

x-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 112
  • Norm. En. per Res.: -5.6612
• Hub Node: A(2)

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	-119.4388	-15.9421	-498.673	-634.0538	112	49	14	19524	4	8	7
A-C	-39.6839	0.0	-75.0937	-114.7776	34	14	1	2685	0	0	0
B-C	-3.911	0.0	-49.0471	-52.9581	31	6	4	2149	0	0	0

Interface residues

• A-B: ALA28A, ALA28B, ARG87A, ARG87B, ARG8A, ARG8B, ASN83A, ASN88A, ASN88B, ASN98A, ASN98B, ASP25A, ASP25B, ASP29A, ASP29B, ASP30A, ASP30B, GLN2A, GLN2B, GLN7A, GLN7B, GLN92A, GLN92B, GLY27A, GLY27B, GLY48A, GLY48B, GLY49A, GLY49B, GLY51A, GLY51B, GLY52A, GLY52B, GLY68A, GLY68B, GLY78A, GLY86A, GLY86B, GLY94A, GLY94B, HIS69A, HIS69B, ILE3A, ILE3B, ILE47A, ILE47B, ILE50A, ILE50B, ILE54A, ILE54B, ILE66A, ILE66B, ILE84A, ILE84B, ILE85A, ILE85B, ILE93A, ILE93B, LEU10A, LEU10B, LEU23A, LEU23B, LEU24A, LEU24B, LEU33A, LEU5A, LEU5B, LEU76A, LEU76B, LEU89A, LEU89B, LEU90A, LEU90B, LEU97A, LEU97B, LYS55A, MET46A, MET46B, PHE53A, PHE53B, PHE99A, PHE99B, PRO1A, PRO1B, PRO79A, PRO79B, PRO81A, PRO81B, PRO9A, PRO9B, THR12A, THR12B, THR26A, THR26B, THR4A, THR4B, THR80A, THR80B, THR91A, THR91B, THR96A, THR96B, TRP6A, TRP6B, VAL11A, VAL11B, VAL32A, VAL32B, VAL56A, VAL56B, VAL82A, VAL82B
• A-C: ALA28A, ARG87A, ARG8A, ASN3C, ASN88A, ASP25A, ASP29A, ASP30A, GLY27A, GLY48A, GLY49A, GLY51A, GLY52A, GLY86A, ILE47A, ILE50A, ILE54A, ILE5C, ILE84A, ILE85A, LEU23A, LEU2C, LEU76A, LYS45A, MET46A, PHE53A, PRO81A, SER1C, THR26A, THR31A, THR80A, VAL32A, VAL56A, VAL82A
• B-C: ALA28B, ARG87B, ARG8B, ASN3C, ASP25B, ASP29B, ASP30B, GLY27B, GLY48B, GLY49B, GLY86B, ILE47B, ILE50B, ILE54B, ILE5C, ILE84B, ILE85B, LEU23B, LEU2C, LEU76B, LYS45B, MET46B, PHE53B, PRO81B, SER1C, THR26B, THR31B, THR80B, VAL32B, VAL56B, VAL82B