3NFP

crystal structure of the fab fragment of therapeutic antibody daclizumab in complex with il-2ra (cd25) ectodomain

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-K
  • Int. Res.: 55
  • Norm. En. per Res.: -4.2111
• 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	-22.8534	-13.6611	-332.16	-368.6745	159	6	11	14341	0	20	13
A-H	0.0	0.0	-0.5914	-0.5914	9	0	0	54	0	3	0
A-K	-54.2767	-87.4474	-89.8882	-231.6123	55	7	0	3279	6	15	16
B-H	0.0	-1.887	-0.3739	-2.2609	7	0	0	57	0	7	4
B-K	-6.2815	-12.6868	-75.6888	-94.6571	47	5	0	3669	0	7	5
H-L	-13.2	-17.1211	-323.696	-354.0171	164	4	12	13981	1	21	16
H-I	-50.9537	-87.5168	-103.95	-242.4205	60	4	1	4002	6	13	15
L-I	-15.687	-14.991	-89.3876	-120.0656	44	1	1	3746	0	7	5

Interface residues

• A-B: ALA128A, ALA129B, ALA139A, ALA140A, ALA171A, ALA42B, ALA54B, ALA97A, ARG141B, ARG33A, ARG38A, ARG90B, ASN136B, ASN137B, ASN157B, ASN61A, ASP104A, ASP121B, ASP147A, ASP166B, ASP169B, ASP1B, CYS133B, CYS143A, CYS87B, CYS96A, GLN108A, GLN123B, GLN159B, GLN174A, GLN37B, GLN39A, GLN3B, GLN43A, GLN62A, GLN6A, GLN6B, GLN89B, GLN99B, GLU122B, GLU160B, GLU164B, GLU46A, GLU59A, GLY100A, GLY100B, GLY101A, GLY107A, GLY109A, GLY137A, GLY142A, GLY165A, GLY177A, GLY40B, GLY42A, GLY44A, GLY49A, GLY98B, GLY99A, HIS167A, HIS33B, HIS35A, HIS88B, ILE116B, ILE47B, ILE48A, LEU124B, LEU127A, LEU134B, LEU135B, LEU141A, LEU144A, LEU173A, LEU174B, LEU181A, LEU45A, LEU45B, LEU46B, LEU95B, LYS125B, LYS146A, LYS212A, LYS38B, LYS41B, LYS44B, LYS63A, MET32B, PHE103A, PHE115B, PHE117B, PHE125A, PHE138B, PHE169A, PHE97B, PRO118B, PRO119B, PRO126A, PRO129A, PRO170A, PRO43B, PRO94B, SER113B, SER120B, SER123A, SER126B, SER130B, SER161B, SER173B, SER175A, SER175B, SER176A, SER176B, SER180A, SER182A, SER183A, SER55B, THR128B, THR138A, THR163B, THR168A, THR171B, THR177B, THR179B, THR186A, THR49B, THR50B, THR84B, THR92B, THR96B, TRP106A, TRP34B, TRP36A, TRP47A, TYR105A, TYR172B, TYR31B, TYR35B, TYR48B, TYR50A, TYR57A, TYR60A, TYR85B, TYR86B, TYR93B, TYR95A, VAL102A, VAL114B, VAL124A, VAL131B, VAL132B, VAL162B, VAL166A, VAL172A, VAL184A, VAL185A, VAL187A, VAL214A, VAL37A, VAL93A
• A-H: ASN207H, GLU215A, LYS212A, LYS213A, PRO126A, PRO205H, PRO216A, SER206H, THR119H
• A-K: ARG117K, ARG155K, ARG33A, ARG98A, ASN27K, ASN52A, ASN61A, ASP104A, ASP4K, ASP5K, ASP6K, CYS3K, GLN62A, GLU1K, GLU29K, GLU59A, GLU9K, GLY100A, GLY101A, GLY152K, GLY99A, HIS120K, HIS151K, HIS35A, ILE118K, ILE37K, LEU26K, LEU2K, LEU42K, LYS148K, LYS153K, LYS65A, MET149K, MET25K, MET34A, PHE103A, PHE121K, PRO7K, SER31A, SER41K, SER54A, THR154K, THR30A, THR55A, THR58A, TRP156K, TRP47A, TYR105A, TYR119K, TYR32A, TYR43K, TYR50A, TYR57A, TYR60A, VAL102A
• B-H: ASN207H, ASP121B, GLU122B, GLU212B, LYS209H, SER120B, VAL210H
• B-K: ALA54B, ARG90B, ASN27K, ASN52B, ASP1B, ASP4K, ASP5K, CYS3K, CYS46K, GLN89B, GLU1K, GLU22K, GLY152K, GLY23K, HIS120K, HIS151K, HIS33B, ILE118K, ILE29B, ILE2B, LEU2K, LEU42K, LEU45B, LEU45K, LEU95B, LYS153K, MET149K, MET25K, PHE121K, PRO94B, SER28B, SER30B, SER55B, SER91B, THR150K, THR154K, THR24K, THR49B, THR50B, THR92B, TYR119K, TYR31B, TYR43K, TYR48B, TYR93B, VAL122K, VAL123K
• H-L: ALA128H, ALA129L, ALA139H, ALA140H, ALA171H, ALA42L, ALA54L, ALA97H, ARG33H, ARG38H, ARG90L, ASN136L, ASN137L, ASN157L, ASN61H, ASP104H, ASP121L, ASP147H, ASP166L, ASP169L, ASP1L, CYS133L, CYS143H, CYS87L, CYS96H, GLN108H, GLN123L, GLN159L, GLN174H, GLN37L, GLN39H, GLN3L, GLN43H, GLN62H, GLN6H, GLN89L, GLN99L, GLU122L, GLU160L, GLU164L, GLU212L, GLU46H, GLU59H, GLY100H, GLY100L, GLY101H, GLY107H, GLY109H, GLY137H, GLY142H, GLY156L, GLY165H, GLY40L, GLY42H, GLY44H, GLY49H, GLY98L, GLY99H, HIS167H, HIS33L, HIS35H, HIS88L, ILE116L, ILE47L, ILE48H, LEU124L, LEU127H, LEU134L, LEU135L, LEU141H, LEU144H, LEU173H, LEU174L, LEU178L, LEU180L, LEU181H, LEU45H, LEU45L, LEU46L, LEU95L, LYS125L, LYS132H, LYS146H, LYS206L, LYS212H, LYS213H, LYS41L, LYS44L, LYS63H, MET32L, PHE103H, PHE115L, PHE117L, PHE125H, PHE138L, PHE169H, PHE64H, PHE97L, PRO118L, PRO119L, PRO126H, PRO129H, PRO170H, PRO216H, PRO41H, PRO43L, PRO94L, SER113L, SER120L, SER123H, SER126L, SER130L, SER158L, SER161L, SER173L, SER175H, SER175L, SER176L, SER180H, SER182H, SER183H, SER55L, THR128L, THR138H, THR163L, THR168H, THR171L, THR177L, THR179L, THR186H, THR49L, THR50L, THR84L, THR92L, THR96L, TRP106H, TRP34L, TRP36H, TRP47H, TYR105H, TYR172L, TYR35L, TYR48L, TYR50H, TYR57H, TYR60H, TYR85L, TYR86L, TYR93L, TYR95H, VAL102H, VAL114L, VAL124H, VAL131L, VAL132L, VAL162L, VAL166H, VAL172H, VAL184H, VAL185H, VAL187H, VAL214H, VAL37H, VAL93H
• H-I: ARG155I, ARG33H, ARG98H, ASN27I, ASN52H, ASN61H, ASP104H, ASP4I, ASP5I, ASP6I, CYS147I, CYS3I, GLN62H, GLU116I, GLU1I, GLU29I, GLU59H, GLU9I, GLY100H, GLY101H, GLY152I, GLY40I, GLY99H, HIS120I, HIS151I, HIS35H, ILE118I, LEU26I, LEU2I, LEU42I, LYS153I, LYS63H, LYS65H, MET149I, MET25I, MET34H, PHE103H, PHE121I, PRO7I, SER31H, SER39I, SER41I, SER54H, THR150I, THR154I, THR28H, THR55H, THR58H, TRP156I, TRP47H, TYR105H, TYR119I, TYR27H, TYR32H, TYR43I, TYR50H, TYR57H, TYR60H, VAL102H, VAL2H
• L-I: ALA54L, ARG90L, ASN27I, ASN52L, ASP4I, ASP5I, CYS3I, CYS46I, GLN89L, GLU1I, GLY124I, GLY152I, GLY23I, HIS120I, HIS151I, HIS33L, ILE29L, LEU2I, LEU42I, LEU45I, LEU45L, LEU53L, LEU95L, LYS153I, MET149I, MET25I, PHE121I, PRO94L, SER30L, SER55L, SER91L, THR150I, THR154I, THR24I, THR47I, THR49L, THR92L, TYR119I, TYR31L, TYR43I, TYR48L, TYR93L, VAL122I, VAL123I