1MR1

crystal structure of a smad4-ski complex

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 76
  • Norm. En. per Res.: -4.8388
• 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	-6.6636	-12.1699	-5.1365	-23.97	10	1	0	210	1	3	4
A-C	0.0	2.2251	-16.6435	-14.4184	24	1	1	1035	0	9	9
A-D	-97.5797	-30.7075	-239.458	-367.7452	76	20	1	8843	3	26	21
B-C	-95.5183	-19.5645	-243.008	-358.0908	79	32	1	9065	3	27	25
B-D	-9.4984	-32.1649	-40.7887	-82.452	35	0	0	1833	7	31	31
C-D	-5.0371	1.8097	-39.4933	-42.7207	33	5	1	2039	2	26	19

Interface residues

• A-B: ARG361A, ASP512B, GLN516B, LEU402A, LYS385A, PRO511B, PRO514B, TYR353A, TYR513B, VAL354A
• A-C: ALA266C, ALA433A, ARG270C, ARG361A, ARG400A, ASN269C, ASP355A, CYS401A, GLN388A, GLU268C, GLY226C, HIS264C, LEU267C, LEU402A, LYS265C, LYS385A, PRO431A, SER263C, SER432A, THR349A, TRP398A, TYR353A, TYR434A, VAL354A
• A-D: ALA283D, ALA379A, ALA406A, ALA418A, ALA425A, ALA433A, ARG270D, ARG282D, ARG378A, ARG416A, ARG420A, ASN269D, ASN280D, ASP277D, ASP404A, ASP415A, ASP424A, ASP512A, CYS224D, CYS272D, CYS401A, GLN289D, GLN297D, GLU223D, GLU268D, GLU417A, GLY226D, GLY275D, GLY419A, GLY508A, GLY510A, HIS222D, HIS273D, HIS382A, HIS405A, HIS427A, ILE285D, ILE429A, ILE435A, LEU267D, LEU286D, LEU287D, LEU402A, LEU414A, LYS227D, LYS308D, LYS428A, LYS436A, LYS507A, PHE225D, PHE276D, PHE408A, PRO431A, PRO511A, PRO514A, SER288D, SER403A, SER411A, SER432A, THR271D, TRP274D, TRP281D, TRP509A, TYR221D, TYR284D, TYR291D, TYR413A, TYR430A, TYR434A, TYR513A, VAL260D, VAL407A, VAL409A, VAL426A, VAL437A, VAL506A
• B-C: ALA266C, ALA283C, ALA379B, ALA406B, ALA418B, ALA421B, ALA425B, ALA433B, ARG270C, ARG282C, ARG378B, ARG416B, ARG420B, ASN269C, ASN280C, ASP277C, ASP404B, ASP415B, ASP424B, ASP512B, CYS224C, CYS272C, CYS401B, GLN289C, GLN297C, GLN516B, GLU223C, GLU268C, GLU417B, GLY226C, GLY275C, GLY419B, GLY423B, GLY508B, GLY510B, HIS222C, HIS273C, HIS382B, HIS405B, HIS427B, ILE285C, ILE429B, ILE435B, LEU267C, LEU286C, LEU287C, LEU402B, LEU414B, LYS227C, LYS308C, LYS428B, LYS436B, LYS507B, PHE225C, PHE276C, PHE408B, PRO431B, PRO511B, PRO514B, SER403B, SER411B, SER432B, THR271C, TRP274C, TRP281C, TRP509B, TYR221C, TYR284C, TYR413B, TYR430B, TYR434B, TYR513B, VAL260C, VAL261C, VAL407B, VAL409B, VAL426B, VAL437B, VAL506B
• B-D: ALA298D, ALA375B, ALA379B, ARG302D, ARG378B, ARG515B, ASP305D, ASP306D, ASP312D, CYS303D, GLN516B, GLU235D, GLU309D, GLU374B, GLU520B, GLY301D, GLY508B, HIS382B, ILE376B, LYS308D, LYS310D, LYS507B, LYS519B, MET331B, PHE311D, PRO234D, PRO514B, PRO522B, SER238D, SER517B, THR373B, TYR237D, TYR513B, VAL307D, VAL506B
• C-D: ALA279D, ALA283D, ARG219C, ARG251C, ARG282D, ASN280D, ASP249C, ASP277D, ASP290C, ASP312D, CYS250C, GLN289C, GLN297C, GLU223C, GLU309D, HIS264C, LEU248C, LYS227C, LYS229C, LYS265C, LYS308D, LYS310D, PHE311D, PRO240D, SER238D, SER239D, SER241D, SER288C, THR292C, TRP281D, TYR221C, TYR284D, TYR291C