3HMX

crystal structure of ustekinumab fab/il-12 complex

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 75
  • Norm. En. per Res.: -3.5821
• 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	-27.9357	-45.5202	567.929	494.4731	94	20	5	9755	3	30	25
A-L	0.0	2.6345	-73.3699	-70.7354	48	5	0	3131	0	0	1
A-H	-57.8302	-63.8961	-146.932	-268.6583	75	9	0	6172	8	26	18
L-H	-34.8847	-24.435	-475.586	-534.9057	190	25	12	18440	1	18	16

Interface residues

• A-B: ALA176A, ALA179A, ALA179B, ALA180A, ALA184B, ALA196B, ALA62B, ARG181B, ARG183B, ARG189B, ARG208A, ARG24B, ARG291A, ASN195B, ASN71B, ASP108B, ASP188B, ASP209A, ASP270A, ASP290A, ASP48B, ASP51B, CYS101B, CYS177A, CYS63B, CYS74B, GLN20B, GLN289A, GLN31B, GLU181A, GLU182A, GLU50B, GLU61B, GLU67B, GLU72B, HIS178B, HIS244A, HIS49B, ILE105B, ILE182B, ILE187B, ILE207A, ILE211A, LEU16B, LEU184A, LEU194B, LEU23B, LEU249A, LEU64B, LEU66B, LEU68B, LYS102A, LYS54B, LYS70B, MET191B, MET98B, PHE180B, PHE205A, PHE206A, PHE247A, PRO178A, PRO185A, PRO243A, PRO65B, SER115A, SER175A, SER183A, SER192B, SER197B, SER19B, SER204A, SER241A, SER245A, SER248A, SER27B, SER294A, SER295A, SER44B, SER73B, THR186B, THR242A, THR53B, THR59B, THR69B, TRP240A, TYR112B, TYR114A, TYR193B, TYR246A, TYR292A, TYR293A, VAL185B, VAL190B, VAL60B
• A-L: ALA19A, ALA50L, ASN92L, ASP18A, ASP1L, ASP62A, GLN27L, GLN55L, GLN56A, GLN90L, GLU22A, GLU45A, GLU59A, GLY21A, GLY28L, GLY48A, GLY68L, ILE29L, ILE2L, ILE55A, ILE93L, LEU33L, LEU47A, LEU53A, LEU54L, LYS58A, MET23A, PRO17A, PRO20A, PRO95L, SER30L, SER31L, SER49A, SER53L, SER56L, SER67L, THR54A, TRP15A, TRP32L, TYR16A, TYR49L, TYR91L, TYR94L, TYR96L, VAL24A, VAL25A, VAL46A, VAL57A
• A-H: ALA63A, ARG100H, ARG59H, ARG98H, ARG99H, ASP107H, ASP18A, ASP41A, ASP55H, ASP57H, ASP62A, GLN103H, GLN42A, GLN56A, GLN65A, GLN65H, GLU1H, GLU22A, GLU45A, GLU59A, GLY102H, GLY104H, GLY21A, GLY26H, GLY48A, GLY61A, GLY64A, HIS194A, ILE50H, ILE55A, ILE58H, LEU13A, LEU196A, LEU26A, LEU40A, LEU47A, LEU53A, LEU80A, LEU82A, LYS195A, LYS197A, LYS58A, LYS84A, MET23A, MET51H, PHE108H, PHE29H, PHE60A, PRO101H, PRO17A, PRO53H, PRO62H, SER28H, SER43A, SER44A, SER52H, SER61H, THR30H, THR31H, THR39A, THR54A, TRP15A, TRP33H, TRP38A, TRP47H, TYR105H, TYR27H, TYR32H, TYR60H, TYR66A, VAL24A, VAL2H, VAL46A, VAL54H, VAL57A
• L-H: ALA130L, ALA131H, ALA142H, ALA143H, ALA174H, ALA34L, ALA43L, ALA50L, ALA51L, ALA97H, ARG100H, ARG142L, ARG38H, ARG59H, ARG98H, ARG99H, ASN137L, ASN138L, ASN92L, ASP107H, ASP122L, ASP150H, ASP167L, ASP170L, ASP1L, ASP46H, CYS134L, CYS146H, CYS214L, CYS88L, CYS96H, GLN100L, GLN103H, GLN111H, GLN124L, GLN160L, GLN166L, GLN177H, GLN37L, GLN38L, GLN39H, GLN55L, GLN6H, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU213L, GLU41L, GLY101L, GLY102H, GLY104H, GLY110H, GLY112H, GLY128L, GLY145H, GLY168H, GLY180H, GLY212L, GLY42H, GLY44H, GLY49H, GLY57L, GLY99L, HIS170H, ILE117L, ILE48H, ILE48L, ILE50H, ILE58H, ILE93L, LEU114H, LEU125L, LEU130H, LEU135L, LEU136L, LEU144H, LEU147H, LEU175L, LEU176H, LEU179L, LEU181H, LEU181L, LEU184H, LEU33L, LEU45H, LEU47L, LEU54L, LYS135H, LYS149H, LYS169L, LYS207L, LYS215H, LYS220H, LYS39L, LYS42L, LYS43H, LYS45L, MET51H, MET93H, PHE106H, PHE108H, PHE116L, PHE118L, PHE128H, PHE139L, PHE172H, PHE209L, PHE64H, PHE98L, PRO119L, PRO120L, PRO129H, PRO132H, PRO173H, PRO219H, PRO40L, PRO44L, PRO62H, PRO95L, SER114L, SER121L, SER126H, SER127L, SER131L, SER133H, SER134H, SER159L, SER162L, SER167H, SER174L, SER176L, SER177L, SER178H, SER179H, SER183H, SER185H, SER186H, SER192H, SER208L, SER31L, SER46L, SER52L, SER53L, SER56L, SER61H, SER63H, THR129L, THR141H, THR164L, THR166H, THR171H, THR172L, THR178L, THR180L, THR189H, THR85L, THR97L, TRP109H, TRP32L, TRP33H, TRP35L, TRP36H, TRP47H, TYR105H, TYR173L, TYR182H, TYR36L, TYR49L, TYR60H, TYR87L, TYR91L, TYR94L, TYR95H, TYR96L, VAL115L, VAL127H, VAL132L, VAL133L, VAL163L, VAL169H, VAL175H, VAL187H, VAL188H, VAL190H, VAL213H, VAL217H, VAL2H, VAL37H