3MCY

crystal structure of fimh lectin domain bound to biphenyl mannoside meta-methyl ester.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: D-B
  • Int. Res.: 35
  • Norm. En. per Res.: -2.2414
• 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	-20.7702	0.0	-64.7627	-85.5329	50	8	2	3151	0	2	2
A-C	-16.6634	-15.125	-27.7267	-59.5151	34	2	1	1594	2	3	4
D-B	-21.8316	0.0	-56.6182	-78.4498	35	5	0	2468	0	4	2
B-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	0

Interface residues

• A-B: ALA115B, ALA119B, ALA63A, ALA63B, ARG132A, ARG60A, ASN147A, ASN70B, GLN143A, GLN59A, GLU89A, GLY16A, GLY61A, GLY61B, GLY65A, GLY65B, GLY66B, GLY73B, ILE130A, LEU125A, LEU129A, LEU68A, LEU68B, PHE144A, PHE71B, PHE84B, PRO111B, PRO83B, PRO85B, SER113B, SER114B, SER17A, SER62A, SER62B, SER69B, SER72B, SER88A, THR110B, THR86A, THR86B, THR87A, THR87B, TRP146A, TYR64A, TYR64B, VAL112B, VAL118B, VAL128A, VAL145A, VAL67B
• A-C: ALA122A, ALA150A, ASN135C, ASN138C, ASN151A, ASN152A, ASN19A, ASN23A, ASP140C, ASP141C, ASP153A, ASP47C, GLY123A, GLY14C, GLY15C, ILE11C, ILE120A, ILE13C, ILE52C, LYS121A, PHE142C, PHE1C, PRO12C, PRO26A, SER124A, SER139C, TYR137C, TYR149A, TYR21A, TYR48C, VAL118A, VAL154A, VAL155A, VAL27A
• D-B: ALA25D, ARG98B, ASN136B, ASN152D, ASN23D, ASN29D, ASN33D, ASN46B, ASN96B, ASP37D, GLN32D, GLU50B, GLY31D, ILE52B, LEU107D, LEU109D, LEU24D, LEU34D, PRO111D, PRO26D, PRO49B, SER97B, THR40D, THR51B, THR53B, TYR108D, TYR137B, TYR48B, VAL154D, VAL155D, VAL22D, VAL27D, VAL28D, VAL35D, VAL36D
• B-C: ARG60C, SER139B