3D1M

crystal structure of sonic hedgehog bound to the third fniii domain of cdo

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 66
  • Norm. En. per Res.: -5.7889
• Hub Node: A(1)

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-D	-82.7222	-131.2771	-168.069	-382.0683	66	10	0	6242	10	57	46
B-C	-85.3128	-119.3786	-176.451	-381.1424	68	10	0	6425	10	59	48
C-D	-13.3214	-32.6372	-71.2672	-117.2258	42	14	0	3403	4	8	9

Interface residues

• A-D: ALA180A, ALA833D, ARG124A, ARG154A, ARG156A, ARG867D, ASN873D, ASN917D, ASN92A, ASP130A, ASP132A, ASP148A, ASP153A, ASP155A, ASP870D, ASP872D, ASP874D, ASP89A, ASP901D, ASP96A, CYS921D, GLU127A, GLU131A, GLU177A, GLU836D, GLU897D, GLU90A, GLU91A, GLU922D, GLY133A, HIS134A, HIS135A, HIS181A, HIS831D, ILE832D, ILE86A, ILE902D, ILE920D, LYS179A, LYS88A, LYS903D, LYS924D, MET919D, PHE87A, PHE915D, PRO868D, PRO896D, SER152A, SER178A, SER871D, SER899D, SER916D, THR126A, THR150A, THR835D, THR869D, THR898D, THR93A, TYR142A, TYR159A, TYR45A, TYR834D, TYR877D, TYR900D, VAL125A, VAL918D
• B-C: ALA180B, ALA833C, ARG124B, ARG154B, ARG156B, ARG867C, ASN873C, ASN917C, ASN92B, ASP130B, ASP132B, ASP148B, ASP153B, ASP155B, ASP870C, ASP872C, ASP874C, ASP89B, ASP901C, ASP96B, CYS921C, GLN895C, GLU127B, GLU131B, GLU177B, GLU897C, GLU90B, GLU91B, GLU922C, GLY133B, HIS134B, HIS135B, HIS181B, HIS831C, ILE832C, ILE86B, ILE902C, ILE920C, LYS179B, LYS46B, LYS88B, LYS903C, LYS924C, MET919C, PHE87B, PHE915C, PRO868C, PRO896C, SER152B, SER178B, SER871C, SER899C, SER916C, THR126B, THR150B, THR835C, THR869C, THR898C, THR923C, THR93B, TYR142B, TYR159B, TYR45B, TYR834C, TYR877C, TYR900C, VAL125B, VAL918C
• C-D: ALA837C, ALA837D, ASP840D, GLN842C, GLN842D, GLN887C, GLN887D, GLU836C, GLU836D, GLU883D, GLY892C, GLY892D, HIS889C, HIS889D, HIS893C, ILE843C, ILE843D, ILE891C, LEU845C, LEU845D, LYS846C, LYS846D, LYS886C, LYS886D, LYS924C, LYS924D, MET844C, MET844D, MET890C, MET890D, SER839C, SER839D, THR835C, THR835D, THR841C, THR841D, TRP888C, TRP888D, TYR834C, TYR834D, VAL838C, VAL838D