3MXW

crystal structure sonic hedgehog bound to the 5e1 fab fragment

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 64
  • Norm. En. per Res.: -4.2843
• 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-L	-34.0982	-40.6044	-89.3038	-164.0064	51	7	0	3585	3	13	6
A-H	-48.9709	-89.5845	-135.641	-274.1964	64	1	0	4979	17	52	57
L-H	-65.7192	-7.3503	-493.894	-566.9635	195	25	10	19487	2	26	30

Interface residues

• A-L: ALA179A, ALA43A, ARG155A, ARG54L, ASN31L, ASN53L, ASP129A, ASP131A, ASP147A, ASP32L, ASP91L, GLN90L, GLU130A, GLU136A, GLU137A, GLU176A, GLY132A, GLY57L, GLY93L, HIS133A, HIS134A, HIS180A, HIS182A, ILE2L, LEU33L, LEU46L, LYS178A, LYS45A, PHE47A, PRO95L, PRO96L, SER135A, SER138A, SER177A, SER28L, SER30L, SER52L, SER94L, THR56L, THR63L, TRP172A, TYR141A, TYR174A, TYR175A, TYR44A, TYR49L, TYR50L, TYR55L, TYR67L, TYR92L, VAL29L
• A-H: ALA179A, ALA33H, ARG123A, ARG153A, ARG155A, ARG52H, ARG94H, ARG98H, ASN58H, ASN91A, ASP100H, ASP101H, ASP129A, ASP131A, ASP147A, ASP152A, ASP154A, ASP31H, ASP95H, GLU126A, GLU176A, GLU32H, GLU56H, GLU89A, GLU97H, GLY127A, GLY132A, GLY26H, GLY99H, HIS133A, HIS134A, HIS140A, HIS180A, HIS182A, HIS35H, ILE148A, ILE181A, ILE30H, LYS178A, LYS45A, LYS87A, PHE100H, PHE29H, PRO53H, SER135A, SER138A, SER151A, SER156A, SER177A, SER55H, THR125A, THR149A, THR150A, THR28H, TRP47H, TRP96H, TYR102H, TYR158A, TYR174A, TYR27H, TYR44A, TYR54H, VAL146A, VAL50H
• L-H: ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA42H, ALA51L, ALA93H, ARG52H, ARG54L, ARG94H, ARG98H, ASN137L, ASN138L, ASN210L, ASN31L, ASN53L, ASN58H, ASN60H, ASP100H, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP1L, ASP32L, ASP91L, ASP95H, CYS134L, CYS140H, CYS88L, CYS92H, GLN105H, GLN124L, GLN160L, GLN171H, GLN38L, GLN39H, GLN42L, GLN61H, GLN6H, GLN6L, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU43H, GLU46H, GLU97H, GLY100L, GLY101L, GLY104H, GLY106H, GLY133H, GLY134H, GLY139H, GLY157L, GLY162H, GLY174H, GLY41L, GLY49H, GLY93L, GLY99H, GLY99L, HIS164H, HIS35H, HIS41H, ILE117L, ILE48H, ILE48L, ILE89H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU179L, LEU181L, LEU33L, LEU45H, LEU46L, LEU47L, LYS103L, LYS126L, LYS129H, LYS143H, LYS169L, LYS207L, LYS209H, LYS214H, LYS38H, LYS39L, LYS45L, LYS62H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE209L, PHE63H, PHE87L, PHE98L, PRO113L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO44L, PRO95L, PRO96L, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER130H, SER131L, SER132H, SER159L, SER161H, SER162L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER186H, SER208L, SER40H, SER43L, SER44H, SER94L, THR107H, THR129L, THR131H, THR135H, THR160H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR34L, THR56L, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TRP96H, TYR102H, TYR173L, TYR176H, TYR192L, TYR36L, TYR49L, TYR50L, TYR55L, TYR59H, TYR86L, TYR91H, TYR92L, VAL115L, VAL121H, VAL132L, VAL133L, VAL142H, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL207H, VAL211H, VAL2H, VAL37H, VAL3L, VAL50H, VAL85L