3PMA

2.2 angstrom crystal structure of the complex between bovine thrombin and sucrose octasulfate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 44
  • Norm. En. per Res.: -2.2227
• 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	-85.4067	-61.7823	354.131	206.942	89	21	2	13246	11	38	31
A-D	0.0	0.0	-0.6735	-0.6735	8	0	0	101	0	5	3
B-C	0.0	0.0	-0.1357	-0.1357	2	0	0	19	0	3	2
B-D	-13.6996	24.2179	-108.319	-97.8007	44	5	2	4107	0	17	21
C-D	-105.027	-74.107	407.689	228.555	87	18	2	12557	9	40	30

Interface residues

• A-B: ALA132B, ALA1A, ALA22B, ARG137B, ARG206B, ARG244B, ARG4A, ARG50B, ASN159B, ASN204B, ASN205B, ASP116B, ASP14A, ASP1A, ASP21B, ASP49B, CB7.5393659.38803, CB8.82053-15.35810, CYS122B, CYS1A, GLN11A, GLN13A, GLN14A, GLN209B, GLN20B, GLU14A, GLU1A, GLU1A5, GLU23B, GLU8A, GLY133B, GLY136B, GLY25B, GLY2A, HIS119B, HIS131B, ILE118B, ILE14A, ILE47B, LEU114B, LEU123B, LEU129B, LEU130B, LEU14A, LEU160B, LEU162B, LEU26B, LEU3A, LEU46B, LEU6A, LYS10A, LYS129B, LYS135B, LYS14A, LYS186B, LYS202B, LYS9A, MET201B, MET210B, PHE134B, PHE14A, PHE199B, PHE7A, PRO120B, PRO161B, PRO204B, PRO28B, PRO5A, SER115B, SER14A, SER203B, SER27B, SER48B, THR139B, THR14A, TRP207B, TRP29B, TYR117B, TYR14A, TYR184B, TYR204B, TYR208B, VAL121B, VAL12A, VAL138B, VAL157B, VAL158B, VAL200B, VAL24B
• A-D: ALA1A, ARG50D, CYS1A, GLU1A, GLY246D, LEU245D, PRO111D, SER247D
• B-C: ARG244B, GLU1C
• B-D: ALA129B, ARG206B, ARG244B, ARG244D, ARG50D, ASN204B, ASP125B, ASP243B, ASP243D, CYS122B, GLN127B, GLN239B, GLN239D, GLY246D, ILE238B, ILE242B, ILE242D, ILE47B, LEU105B, LEU123B, LEU123D, LEU245D, LYS107D, LYS126B, LYS235B, LYS235D, LYS236B, LYS236D, LYS240B, LYS240D, PHE232B, PRO124B, SER203B, SER247D, SER48B, SER48D, THR128B, TRP237B, TRP51B, TRP51D, TYR204B, TYR208B, VAL241B, VAL241D
• C-D: ALA132D, ALA1C, ALA22D, ARG137D, ARG206D, ARG4C, ARG50D, ASN159D, ASN204D, ASN205D, ASP116D, ASP14C, ASP1C, ASP21D, ASP49D, CYS122D, CYS1C, GLN11C, GLN13C, GLN14C, GLN209D, GLN20D, GLU14C, GLU1C, GLU23D, GLU8C, GLY133D, GLY136D, GLY19D, GLY25D, GLY2C, HIS119D, HIS131D, ILE118D, ILE14C, ILE242D, ILE47D, LEU114D, LEU123D, LEU129D, LEU130D, LEU14C, LEU160D, LEU162D, LEU26D, LEU3C, LEU46D, LEU6C, LYS10C, LYS129D, LYS135D, LYS14C, LYS186D, LYS202D, LYS9C, MET201D, PHE134D, PHE14C, PHE199D, PHE7C, PRO120D, PRO161D, PRO204D, PRO28D, PRO5C, SER115D, SER14C, SER203D, SER27D, SER48D, THR139D, THR14C, TRP207D, TRP29D, TYR117D, TYR14C, TYR184D, TYR204D, TYR208D, VAL121D, VAL12C, VAL138D, VAL157D, VAL158D, VAL200D, VAL24D, VAL79D