3D67

crystal structure of thrombin-activatable fibrinolysis inhibitor (tafi) in complex with 2-guanidino-ethyl-mercaptosuccinic acid (gemsa)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 78
  • Norm. En. per Res.: -3.0448
• 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	0.0	2.35	-11.6318	-9.2819	25	0	0	661	0	11	10
A-C	-22.8524	-14.7334	-199.905	-237.4908	78	24	0	8081	9	20	30
B-C	-9.9569	0.0	-120.049	-130.0059	67	5	3	5613	0	6	8

Interface residues

• A-B: ASN279A, ASN279B, ASP307A, ASP307B, ASP353B, GLN280A, GLN280B, GLY355B, HIS308A, ILE278A, LYS240A, LYS240B, LYS282A, LYS282B, LYS304A, LYS306A, LYS306B, LYS357B, SER303A, SER305A, SER305B, TYR298A, TYR298B, TYR352A, TYR352B
• A-C: ALA148C, ALA318A, ALA318C, ALA321A, ALA321C, ALA388A, ALA388C, ALA389A, ALA389C, ALA394A, ALA394C, ARG191A, ARG191C, ARG320A, ARG320C, ARG399A, ARG399C, ASN150A, ASN150C, ASN188A, ASN188C, ASN400A, ASN400C, GLN185A, GLN185C, GLU309A, GLU317A, GLU317C, GLU323C, GLY184A, GLY184C, HIS333C, HIS396A, HIS396C, ILE183A, ILE183C, ILE393A, ILE393C, ILE398A, ILE398C, LEU189A, LEU189C, LEU192A, LEU192C, LEU313A, LEU313C, LYS149A, LYS149C, LYS324A, LYS324C, LYS392A, LYS392C, PHE387A, PHE387C, SER312C, SER316A, SER316C, SER391A, SER391C, THR147C, THR187A, THR187C, THR325A, TRP395A, TRP395C, TYR186A, TYR186C, VAL193A, VAL193C, VAL314A, VAL314C, VAL319C, VAL390A, VAL390C, VAL397A, VAL397C, VAL401A, VAL401C
• B-C: ALA224B, ALA238B, ALA271B, ALA93C, ALA95C, ARG117C, ARG275B, ARG92C, ASN225B, ASN226B, ASN236B, ASP87C, CYS243B, CYS257B, GLN178C, GLU106C, GLU244B, GLU262B, GLU264B, GLY174C, GLY181C, GLY184C, GLY258B, HIS118C, HIS175C, HIS227B, HIS241B, ILE114C, ILE176C, ILE182C, ILE183C, LEU259B, LEU354B, LYS144C, LYS268B, LYS380C, PHE113C, PHE131B, PHE179C, PHE222B, PHE237B, PRO261B, PRO265B, PRO91C, SER221B, SER239B, SER249B, SER250B, SER251B, SER263B, SER272B, SER90C, SER94C, SER96C, THR177C, THR187C, THR88C, TRP242B, TRP350B, TYR180C, TYR223B, TYR256B, TYR260B, TYR97C, TYR98C, VAL267B, VAL89C