3O2D

crystal structure of hiv-1 primary receptor cd4 in complex with a potent antiviral antibody

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-A
  • Int. Res.: 69
  • Norm. En. per Res.: -3.6371
• Hub Node: L(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
L-H	-51.8073	-50.5392	-495.629	-597.9755	200	12	13	18900	4	26	25
L-A	-24.896	0.0	-123.032	-147.928	57	4	0	4875	0	3	1
H-A	-40.049	-7.5724	-203.341	-250.9624	69	8	3	7216	0	6	5

Interface residues

• L-H: ALA100H, ALA101H, ALA125H, ALA129L, ALA136H, ALA137H, ALA168H, ALA34L, ALA51L, ALA93H, ARG141L, ARG210L, ARG38H, ARG94H, ARG95L, ASN136L, ASN137L, ASN209L, ASN30L, ASN31L, ASP121L, ASP144H, ASP166L, ASP169L, ASP1L, ASP46H, ASP58H, ASP60H, ASP97H, CYS127H, CYS133L, CYS140H, CYS88L, CYS92H, GLN105H, GLN123L, GLN159L, GLN165L, GLN171H, GLN37L, GLN38L, GLN39H, GLN42L, GLN43H, GLN6H, GLN6L, GLN89L, GLN90L, GLU122L, GLU133H, GLU160L, GLU164L, GLU55L, GLU61H, GLU95H, GLY100H, GLY100L, GLY104H, GLY106H, GLY127L, GLY139H, GLY162H, GLY174H, GLY41L, GLY42H, GLY44H, GLY49H, GLY98L, GLY99L, HIS164H, HIS35H, ILE116L, ILE2L, ILE48H, ILE48L, LEU124H, LEU124L, LEU134L, LEU135L, LEU138H, LEU141H, LEU170H, LEU174L, LEU175H, LEU178H, LEU178L, LEU180L, LEU189H, LEU33L, LEU45H, LEU46L, LEU47L, LEU4H, LYS102L, LYS125L, LYS143H, LYS168L, LYS206L, LYS209H, LYS30L, LYS39L, LYS40H, LYS45L, LYS62H, LYS96H, PHE100H, PHE115L, PHE117L, PHE122H, PHE138L, PHE166H, PHE208L, PHE63H, PHE97L, PRO118L, PRO119L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, SER113L, SER120H, SER120L, SER126L, SER128H, SER130L, SER134H, SER158L, SER161H, SER161L, SER167L, SER172H, SER173H, SER173L, SER175L, SER176L, SER177H, SER179H, SER180H, SER186H, SER207L, SER213H, SER43L, SER56L, SER93L, THR100H, THR128L, THR131H, THR135H, THR160H, THR163L, THR165H, THR171L, THR177L, THR179L, THR183H, THR53L, THR57H, THR96L, TRP100H, TRP103H, TRP35L, TRP36H, TRP47H, TRP50L, TYR102H, TYR172L, TYR176H, TYR185L, TYR30L, TYR32L, TYR36L, TYR49L, TYR50H, TYR59H, TYR86L, TYR87L, TYR91H, TYR91L, TYR92L, TYR94L, TYR99H, VAL114L, VAL121H, VAL131L, VAL132L, VAL142H, VAL162L, VAL163H, VAL169H, VAL181H, VAL182H, VAL184H, VAL207H, VAL211H, VAL33H, VAL37H, VAL85L, VAL89H
• L-A: ARG95L, ASN30A, ASN30L, ASN31L, ASN32A, ASP1L, ASP78A, ASP80A, GLN163A, GLN27L, GLN30L, GLN33A, GLN90L, GLU119A, GLU77A, GLY123A, GLY141A, ILE2L, ILE34A, ILE36A, ILE76A, LEU118A, LEU29L, LEU30L, LEU51A, LEU95A, LEU96A, LYS142A, LYS30L, LYS50A, LYS75A, PHE98A, PRO121A, PRO122A, PRO126A, SER120A, SER124A, SER125A, SER127A, SER30L, SER31A, SER49A, SER79A, SER93L, THR117A, THR143A, THR30L, THR81A, TRP50L, TYR30L, TYR32L, TYR82A, TYR91L, TYR92L, TYR94L, VAL128A, VAL97A
• H-A: ALA100H, ARG94H, ASN164A, ASN52H, ASN54H, ASN98H, ASP55H, ASP58H, ASP60H, ASP80A, ASP97H, GLN129A, GLN139A, GLN163A, GLN165A, GLN94A, GLU61H, GLU95H, GLY100H, GLY123A, GLY140A, GLY141A, GLY56H, HIS35H, ILE34H, ILE51H, LEU118A, LEU144A, LEU162A, LEU5A, LEU95A, LEU96A, LYS142A, LYS166A, LYS167A, LYS64H, PHE100H, PHE29H, PHE98A, PRO121A, PRO122A, PRO126A, PRO52H, SER120A, SER124A, SER125A, SER127A, SER145A, SER31H, SER79A, THR100H, THR143A, THR160A, THR28H, THR30H, THR57H, THR81A, TRP100H, TRP47H, TYR32H, TYR50H, TYR53H, TYR59H, TYR99H, VAL128A, VAL161A, VAL33H, VAL3A, VAL4A