2NUT

crystal structure of the human sec23a/24a heterodimer, complexed with the snare protein sec22b

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 87
  • Norm. En. per Res.: -4.1179
• 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	-53.0343	-74.8269	-230.395	-358.2562	87	20	4	9299	4	19	18
A-C	-27.0793	-8.0707	-90.0808	-125.2308	37	13	0	3719	0	14	12
B-C	-15.1146	-90.6111	-139.41	-245.1357	83	8	0	6691	4	27	16

Interface residues

• A-B: ARG171A, ARG190A, ARG228A, ASN239A, ASN583B, ASP242A, ASP250A, ASP550B, ASP572B, ASP575B, ASP597B, CYS180A, GLN174A, GLN199A, GLN248A, GLN559B, GLN564B, GLN566B, GLN604B, GLU177A, GLU181A, GLU202A, GLU246A, GLU574B, GLU582B, GLU611B, GLY179A, GLY182A, GLY191A, GLY205A, GLY245A, GLY557B, HIS176A, HIS554B, ILE183A, ILE553B, ILE569B, ILE573B, ILE578B, LEU195A, LEU200A, LEU204A, LEU243A, LEU247A, LEU558B, LEU562B, LEU568B, LEU584B, LEU598B, LEU602B, LYS185A, LYS193A, LYS608B, LYS625B, MET172A, MET203A, MET567B, MET580B, MET605B, PHE189A, PHE229A, PHE555B, PHE577B, PHE606B, PRO251A, PRO253A, PRO565B, PRO579B, PRO581B, SER184A, SER186A, SER551B, SER561B, SER563B, SER571B, THR192A, THR552B, THR601B, THR609B, TRP252A, TYR187A, TYR556B, VAL173A, VAL175A, VAL188A, VAL570B, VAL576B
• A-C: ALA78C, ARG130C, ARG249A, ARG259A, ASP128C, ASP141A, ASP250A, CYS138A, GLN248A, GLN256A, GLU140A, GLU305A, GLU76C, GLY170A, GLY257A, ILE127C, LEU125C, LEU144A, LEU306A, LEU83C, LYS124C, LYS258A, LYS82C, MET139A, MET1C, PHE79C, PRO251A, PRO253A, PRO255A, PRO260A, PRO80C, SER129C, THR137A, TRP252A, TYR126C, VAL254A, VAL2C
• B-C: ALA17C, ALA18C, ALA492B, ARG108C, ARG130C, ARG499B, ARG541B, ARG816B, ARG817B, ASN539B, ASN583B, ASN587B, ASN589B, ASP116C, ASP23C, GLN120C, GLN21C, GLN31C, GLN34C, GLN502B, GLN683B, GLU114C, GLU22C, GLU495B, GLU582B, GLU590B, GLU815B, GLY13C, GLY814B, ILE113C, ILE119C, ILE578B, ILE7C, LEU14C, LEU16C, LEU30C, LEU498B, LEU4C, LEU626B, LYS121C, LYS124C, LYS38C, LYS543B, LYS625B, LYS813B, MET20C, MET491B, MET497B, MET580B, MET627B, MET6C, PHE112C, PHE115C, PHE118C, PHE624B, PRO109C, PRO15C, PRO493B, PRO500B, PRO501B, PRO503B, PRO504B, PRO581B, PRO629B, SER107C, SER111C, SER19C, SER425B, SER426B, SER494B, SER628B, SER811B, SER812B, THR117C, THR424B, THR540B, THR542B, THR5C, THR630B, THR810B, TYR110C, TYR496B, VAL422B