3KCG

crystal structure of the antithrombin-factor ixa- pentasaccharide complex

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 127
  • Norm. En. per Res.: -4.6941
• Hub Node: H(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
L-H	-43.9038	9.7775	489.422	455.2957	75	14	3	7727	0	11	8
H-I	-106.0089	-73.7557	-416.391	-596.1556	127	24	5	14342	12	28	29

Interface residues

• L-H: ALA124H, ARG134L, ASN101L, ASN115H, ASN48H, ASN89L, ASN92L, ASP125H, CYS109L, CYS111L, CYS122H, CYS124L, CYS132L, CYS88L, CYS95L, CYS99L, GLN26H, GLN97L, GLU113L, GLU127H, GLU202H, GLU204H, GLU96L, GLY114L, GLY133L, GLY205H, GLY25H, GLY93L, ILE121H, ILE123H, ILE129H, ILE46H, LEU114H, LEU209H, LYS100L, LYS239H, LYS23H, LYS243H, PHE130H, PHE130L, PHE133H, PHE208H, PHE27H, PHE98L, PRO120H, PRO126L, PRO129L, PRO131L, PRO24H, PRO28H, SER110L, SER116H, SER123L, SER136L, SER207H, THR112L, THR119H, THR129H, THR201H, THR206H, THR245H, THR79H, TRP29H, TYR115L, TYR117H, TYR128H, TYR137H, VAL113H, VAL118H, VAL128L, VAL135L, VAL137L, VAL200H, VAL203H, VAL47H
• H-I: ALA152H, ALA183H, ALA195H, ALA221H, ALA249I, ALA382I, ALA383I, ALA384I, ALA387I, ALA391I, ALA40H, ALA55H, ALA56H, ARG143H, ARG150H, ARG188H, ARG235I, ARG393I, ARG399I, ASN233I, ASN34H, ASN396I, ASN398I, ASN97H, ASP102H, ASP189H, ASP194H, ASP39H, CYS182H, CYS191H, CYS220H, CYS42H, CYS58H, GLN192H, GLN254I, GLU217H, GLU219H, GLU232I, GLU237I, GLU255I, GLU60H, GLU74H, GLY142H, GLY149H, GLY184H, GLY193H, GLY196H, GLY197H, GLY216H, GLY226H, GLY256I, GLY35H, GLY392I, GLY43H, HIS147H, HIS319I, HIS57H, ILE176H, ILE212H, ILE213H, ILE227H, ILE390I, ILE64H, ILE73H, LEU153H, LEU158H, LEU238I, LEU316I, LEU33H, LEU395I, LYS148H, LYS173H, LYS224H, LYS236I, LYS257I, LYS36H, LYS403I, LYS63H, LYS98H, MET180H, MET221H, MET251I, MET252I, MET315I, MET320I, PHE145H, PHE174H, PHE229I, PHE258I, PHE41H, PRO231I, PRO321I, PRO397I, SER151H, SER190H, SER214H, SER227I, SER230I, SER250I, SER385I, SER394I, THR172H, THR175H, THR234I, THR386I, THR401I, TRP141H, TRP215H, TYR177H, TYR225H, TYR228H, TYR253I, TYR99H, VAL138H, VAL144H, VAL154H, VAL160H, VAL16H, VAL17H, VAL317I, VAL318I, VAL388I, VAL389I, VAL38H, VAL400I, VAL59H, VAL62H