1U7F

crystal structure of the phosphorylated smad3/smad4 heterotrimeric complex

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 100
  • Norm. En. per Res.: -3.5677
• 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-B	-34.295	-28.098	-236.592	-298.985	115	22	6	10509	5	22	22
A-C	-65.9309	-71.2391	-235.763	-372.933	111	9	4	10000	7	20	19
B-C	-55.8634	-63.3995	-237.504	-356.7668	100	12	2	10119	11	38	30

Interface residues

• A-B: ALA230A, ALA375B, ALA379B, ALA406B, ARG243A, ARG361B, ARG368A, ARG372B, ARG373A, ARG378B, ARG380B, ARG420A, ARG515B, ASN241A, ASN369B, ASN401A, ASP351B, ASP355B, ASP404B, ASP408A, ASP512B, CYS233A, CYS363B, CYS370A, CYS421A, GLN242A, GLN334B, GLN365A, GLN366B, GLN405A, GLN413A, GLU228A, GLU246A, GLU337B, GLU361A, GLU377B, GLU397A, GLY245A, GLY336B, GLY352B, GLY358B, GLY365B, GLY384B, GLY402A, GLY415A, GLY508B, HIS249A, HIS371B, HIS382B, HIS399A, HIS405B, ILE376B, ILE383B, ILE419A, LEU240A, LEU352A, LEU364B, LEU366A, LEU367B, LEU381B, LEU398A, LEU400A, LEU404A, LEU407A, LEU411A, LYS385B, LYS409A, LYS428B, LYS507B, MET414A, PHE231A, PHE248A, PHE348A, PHE360A, PHE408B, PHE505B, PRO229A, PRO356B, PRO403A, PRO417A, PRO431B, PRO514B, PRO522B, SER234A, SER236A, SER357B, SER368B, SER403B, SER416A, SER418A, SER422A, THR247A, THR367A, THR371A, THR388A, THR390A, THR412A, TRP232A, TRP395A, TRP406A, TRP509B, TYR238A, TYR353B, TYR364A, TYR430B, TYR513B, VAL333B, VAL335B, VAL354B, VAL363A, VAL370B, VAL389A, VAL410A, VAL424A, VAL506B
• A-C: ALA230C, ALA282A, ALA312A, ALA362C, ARG243A, ARG243C, ARG268A, ARG279A, ARG287A, ARG288A, ARG292A, ARG368C, ARG373C, ARG385A, ARG386A, ARG420C, ASN241C, ASN265A, ASN276A, ASN278A, ASN401C, ASP258A, ASP262A, ASP310A, ASP408C, CYS233C, CYS270A, CYS370C, CYS421C, GLN242A, GLN242C, GLN365C, GLN405C, GLN413C, GLU239C, GLU246A, GLU246C, GLU284A, GLU361C, GLU383A, GLU397C, GLY245A, GLY245C, GLY259A, GLY272A, GLY291A, GLY379A, GLY402C, GLY415C, HIS249C, HIS289A, HIS399C, ILE290A, ILE419C, LEU240C, LEU271A, LEU273A, LEU274A, LEU285A, LEU366C, LEU400C, LEU404C, LEU407C, LEU411C, LYS333A, LYS378A, LYS409C, MET414C, PHE231C, PHE248C, PHE260A, PHE314A, PHE360C, PRO263A, PRO336A, PRO393A, PRO403C, PRO417C, SER234C, SER236C, SER264A, SER275A, SER309A, SER311A, SER416C, SER418C, SER422C, THR247C, THR261A, THR286A, THR367C, THR371C, THR388C, THR390C, THR412C, TRP232C, TRP380A, TRP395C, TRP406C, TYR237A, TYR238C, TYR364C, TYR384A, VAL244A, VAL277A, VAL283A, VAL363C, VAL377A, VAL389C, VAL410C, VAL424C
• B-C: ALA319B, ALA327B, ALA532B, ALA546B, ARG243C, ARG268C, ARG279C, ARG287C, ARG288C, ARG292C, ARG496B, ARG497B, ARG502B, ARG531B, ASN265C, ASN276C, ASN278C, ASN280C, ASN316B, ASP258C, ASP262C, ASP310C, ASP332B, ASP493B, ASP494B, ASP537B, CYS270C, CYS324B, CYS499B, GLN242C, GLN334B, GLN534B, GLU239C, GLU246C, GLU267C, GLU284C, GLU321B, GLU330B, GLU337B, GLU526B, GLU538B, GLY245C, GLY259C, GLY272C, GLY291C, GLY491B, HIS289C, HIS317B, HIS528B, HIS530B, HIS541B, ILE290C, ILE490B, ILE500B, ILE518B, ILE545B, LEU271C, LEU273C, LEU274C, LEU285C, LEU495B, LEU529B, LEU533B, LEU535B, LEU536B, LEU540B, LYS340B, LYS519B, MET331B, MET447B, MET543B, PHE260C, PHE329B, PHE339B, PRO263C, PRO318B, PRO320B, PRO544B, SER264C, SER266C, SER275C, SER309C, SER311C, SER315B, SER325B, THR247C, THR261C, THR286C, THR338B, THR542B, TRP323B, TRP524B, TYR237C, TYR322B, VAL244C, VAL277C, VAL283C, VAL333B, VAL492B, VAL539B