2PUQ

crystal structure of active site inhibited coagulation factor viia in complex with soluble tissue factor

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: H-T
  • Int. Res.: 71
  • Norm. En. per Res.: -4.2717
• Hub Node: H(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
L-H	-41.8589	-47.4069	70.0238	-19.242	86	14	3	10626	3	19	17
L-T	-65.4707	-15.3794	-194.024	-274.8741	94	10	4	8120	5	28	28
H-T	-72.8127	-40.759	-189.717	-303.2887	71	14	1	5889	3	16	17
H-I	-6.9272	0.0	-65.3777	-72.3049	29	3	0	3353	0	0	0

Interface residues

• L-H: ALA349H, ARG110L, ARG113L, ARG266H, ARG271H, ARG353H, ASN184H, ASN93L, ASN95L, ASP104L, ASP256H, CYS102L, CYS112L, CYS114L, CYS127L, CYS135L, CYS159H, CYS164H, CYS262H, CYS91L, CYS98L, GLN100L, GLN388H, GLU116L, GLU132L, GLU142L, GLU163H, GLU265H, GLU270H, GLU94L, GLU99L, GLY117L, GLY136L, GLY162H, GLY354H, GLY96L, GLY97L, HIS115L, HIS257H, HIS351H, ILE138L, ILE140L, ILE183H, ILE384H, ILE90L, LEU141L, LEU182H, LEU254H, LEU261H, LEU263H, LEU273H, LEU280H, LEU358H, LYS137L, LYS161H, MET391H, PHE268H, PHE275H, PRO129L, PRO134L, PRO139L, PRO160H, PRO165H, PRO260H, PRO264H, SER103L, SER126L, SER269H, THR185H, THR255H, THR267H, THR272H, THR355H, TRP166H, TRP356H, TYR101L, TYR118L, TYR133L, TYR352H, TYR357H, VAL125L, VAL131L, VAL253H, VAL258H, VAL259H, VAL92L
• L-T: ALA75L, ARG131T, ARG135T, ARG79L, ASN107T, ASN137T, ASN138T, ASN18T, ASN80L, ASN93L, ASN95L, ASP104L, ASP204T, ASP44T, ASP54T, ASP58T, ASP61T, ASP63L, ASP87L, CYS49T, CYS55L, CYS57T, CYS61L, CYS70L, CYS72L, CYS81L, CYS91L, GLN110T, GLN37T, GLN49L, GLN64L, GLN66L, GLN88L, GLU130T, GLU24T, GLU56T, GLU62T, GLU77L, GLU82L, GLU94L, GLY109T, GLY59L, GLY78L, ILE22T, ILE69L, ILE90L, LEU108T, LEU133T, LEU141T, LEU143T, LEU23T, LEU59T, LEU65L, LEU73L, LEU89L, LYS15T, LYS20T, LYS46T, LYS48T, LYS62L, LYS65T, LYS85L, PHE140T, PHE19T, PHE50T, PHE71L, PHE76L, PRO111T, PRO206T, PRO74L, SER142T, SER16T, SER205T, SER47T, SER60L, SER67L, THR106T, THR112T, THR132T, THR139T, THR17T, THR203T, THR21T, THR35T, THR55T, THR60T, THR83L, TRP45T, TYR51T, TYR68L, TYR78T, VAL134T, VAL83T, VAL92L
• H-T: ALA274H, ALA89T, ALA8T, ARG266H, ARG271H, ARG277H, ARG304H, ARG353H, ARG379H, ARG74T, ASN301H, ASN322H, ASN96T, ASP309H, ASP44T, CYS310H, CYS329H, GLN308H, GLN312H, GLN313H, GLN37T, GLN382H, GLU270H, GLU325H, GLU84T, GLU91T, GLU95T, GLY43T, GLY87T, GLY90T, HIS351H, ILE323H, ILE38T, LEU273H, LEU305H, LEU311H, LEU72T, LEU93T, LYS41T, LYS46T, MET306H, MET327H, PHE275H, PHE278H, PHE328H, PHE76T, PRO303H, PRO92T, SER39T, SER42T, SER47T, SER77T, SER85T, SER88T, THR272H, THR307H, THR324H, THR350H, THR40T, THR70T, THR86T, TRP45T, TYR326H, TYR332H, TYR352H, TYR51T, TYR71T, TYR78T, TYR94T, VAL276H, VAL83T
• H-I: ALA191H, ASN240H, ASP196H, ASP242H, ASP319H, CYS194H, CYS340H, CYS368H, GLN366H, GLY237H, GLY318H, GLY342H, GLY365H, GLY367H, HIS193H, LYS341H, PRO321H, SER320H, SER344H, SER363H, THR238H, THR239H, THR2I, TRP364H, TYR1I, TYR234H, VAL317H, VAL362H, VAL376H