1SY6

crystal structure of cd3gammaepsilon heterodimer in complex with okt3 fab fragment

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-A
  • Int. Res.: 53
  • Norm. En. per Res.: -2.8411
• 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	-45.5705	-19.8029	222.75	157.3767	193	29	10	20154	3	16	16
L-A	-15.0905	-15.2567	-50.1109	-80.4581	31	2	0	1891	2	2	3
H-A	-11.6389	-40.1666	-98.7735	-150.579	53	8	0	3590	3	22	15

Interface residues

• L-H: ALA129L, ALA131H, ALA174H, ALA54L, ALA97H, ARG210L, ARG219H, ARG45L, ARG98H, ASN136L, ASN137L, ASN156L, ASN160L, ASN209L, ASN211L, ASN33L, ASN59H, ASN61H, ASN93L, ASP101H, ASP102H, ASP107H, ASP164L, ASP166L, ASP169L, ASP49L, CYS105H, CYS133L, CYS134H, CYS146H, CYS213L, CYS87L, CYS96H, GLN111H, GLN123L, GLN165L, GLN177H, GLN36L, GLN37L, GLN39H, GLN43H, GLN62H, GLN6H, GLN88L, GLN89L, GLU122L, GLU212L, GLU217H, GLU46H, GLY100L, GLY110H, GLY112H, GLY127L, GLY128L, GLY135H, GLY136H, GLY145H, GLY157L, GLY168H, GLY40L, GLY42H, GLY44H, GLY49H, GLY98L, HIS103H, HIS170H, HIS35H, ILE116L, ILE216H, ILE47L, ILE48H, LEU106H, LEU124L, LEU130H, LEU135L, LEU144H, LEU147H, LEU159L, LEU176H, LEU178L, LEU180H, LEU180L, LEU183H, LEU45H, LYS149H, LYS168L, LYS206L, LYS214H, LYS215H, LYS38H, LYS38L, LYS44L, LYS52L, LYS63H, MET174L, MET32L, PHE117L, PHE134L, PHE138L, PHE172H, PHE208L, PHE95L, PHE97L, PRO118L, PRO119L, PRO129H, PRO132H, PRO173H, PRO43L, PRO94L, SER115L, SER120L, SER121L, SER126H, SER126L, SER130L, SER141H, SER161L, SER167H, SER167L, SER170L, SER173L, SER175L, SER176L, SER184H, SER185H, SER186H, SER207L, SER30L, SER39L, SER42L, SER55L, SER91L, SER99L, THR113H, THR113L, THR125L, THR137H, THR143H, THR163L, THR171H, THR171L, THR177L, THR179L, THR181L, THR182H, THR188H, THR33H, THR41L, THR50L, THR84L, THR96L, TRP109H, TRP160H, TRP162L, TRP34L, TRP36H, TRP46L, TRP47H, TRP90L, TYR100H, TYR104H, TYR108H, TYR128H, TYR172L, TYR181H, TYR185L, TYR31L, TYR35L, TYR48L, TYR50H, TYR57H, TYR60H, TYR85L, TYR86L, TYR94H, TYR95H, TYR99H, VAL114L, VAL127H, VAL131L, VAL132L, VAL133H, VAL142H, VAL148H, VAL158L, VAL169H, VAL175H, VAL187H, VAL212H, VAL2H, VAL37H, VAL93H
• L-A: ARG186A, ASN33L, ASN93L, ASP192A, ASP49L, GLN88L, GLN89L, GLU141A, GLU191A, GLY139A, GLY187A, LEU143A, LYS189A, LYS4A, LYS52L, MET32L, PHE95L, PRO138A, PRO185A, PRO94L, SER140A, SER188A, SER30L, SER51L, SER91L, SER92L, THR50L, TRP90L, TYR31L, TYR48L, VAL29L
• H-A: ARG186A, ARG31H, ARG55H, ASN150A, ASN52H, ASN59H, ASP101H, ASP102H, ASP154A, ASP156A, ASP157A, ASP163A, ASP192A, CYS105H, GLN145A, GLU141A, GLU155A, GLU164A, GLU191A, GLY139A, GLY152A, GLY153A, GLY161A, GLY187A, HIS103H, HIS35H, ILE142A, ILE160A, ILE51H, LEU143A, LYS189A, LYS4A, LYS74H, MET34H, PRO185A, PRO190A, PRO53H, SER140A, SER162A, SER188A, SER54H, THR30H, THR33H, THR58H, TRP144A, TRP47H, TYR100H, TYR104H, TYR184A, TYR32H, TYR50H, TYR57H, TYR99H