3BWU

crystal structure of the ternary complex of fimd (n-terminal domain, fimdn) with fimc and the n-terminally truncated pilus subunit fimf (fimft)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 131
  • Norm. En. per Res.: -4.6752
• Hub Node: C(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
C-D	-53.4125	-40.0605	-272.187	-365.66	94	9	8	11413	5	21	13
C-F	-203.3245	-17.3088	-391.818	-612.4513	131	27	14	15925	0	9	9
D-F	-4.1923	0.0	-23.3219	-27.5142	18	1	0	891	0	2	1

Interface residues

• C-D: ALA106C, ALA10D, ALA15D, ALA21C, ALA45D, ALA56C, ALA70C, ALA89C, ARG110D, ARG21D, ARG34D, ARG47D, ARG66C, ARG7D, ASN28C, ASN5D, ASN63C, ASP105D, ASP11D, ASP12D, ASP18D, ASP36D, ASP48D, ASP69C, ASP94C, GLN104C, GLN108D, GLN109D, GLN14D, GLN17C, GLN19C, GLN26D, GLN34C, GLU23D, GLU27D, GLU62C, GLY107D, GLY25D, GLY31D, ILE107C, ILE33C, ILE37D, ILE49C, ILE67C, ILE90C, LEU103C, LEU104D, LEU105C, LEU111D, LEU19D, LEU28D, LEU2D, LEU32C, LEU54C, LEU65C, LEU68C, LEU9D, LYS16C, LYS44C, LYS58C, LYS61C, LYS88C, MET57C, MET93C, PHE22D, PHE4D, PHE55C, PHE8D, PRO13D, PRO29D, PRO30D, PRO52C, PRO53C, PRO6D, PRO91C, SER29C, SER92C, THR102C, THR30C, THR32D, THR46D, THR51C, THR64C, TRP36C, TYR11C, TYR31C, TYR33D, TYR38D, TYR3D, TYR43D, VAL106D, VAL22C, VAL35D, VAL50C
• C-F: ALA106C, ALA129F, ALA145F, ALA147F, ALA165C, ALA195C, ALA19F, ALA20F, ALA21C, ALA3C, ALA59F, ALA62F, ALA6C, ALA80F, ALA88F, ALA89C, ARG110C, ARG130F, ARG188C, ARG50F, ARG8C, ASN101C, ASN144F, ASN14F, ASN164C, ASN191C, ASN24C, ASN24F, ASN25C, ASN58F, ASN86C, ASP13F, ASP26C, CYS16F, CYS56F, GLN104C, GLN154F, GLN34C, GLN94F, GLU100C, GLU152F, GLU154C, GLU163C, GLU21F, GLU82F, GLY141F, GLY15F, GLY194C, GLY1C, GLY57F, GLY5C, GLY66F, GLY69F, HIS142F, ILE107C, ILE108C, ILE111C, ILE143F, ILE190C, ILE51F, ILE90C, ILE93F, LEU103C, LEU105C, LEU112F, LEU117F, LEU125F, LEU131F, LEU151F, LEU162C, LEU166C, LEU196C, LEU20C, LEU4C, LEU52F, LEU53F, LEU79F, LEU81F, LEU82C, LEU95F, LYS112C, LYS64F, LYS88C, MET85C, MET93C, PHE127F, PHE149F, PHE25F, PHE49F, PHE67F, PRO119F, PRO55F, PRO91C, SER109C, SER109F, SER113F, SER17F, SER22F, SER29C, SER54F, SER61F, THR102C, THR115F, THR116F, THR146F, THR148F, THR150F, THR151C, THR153C, THR189C, THR23C, THR23F, THR68F, THR7C, TRP114F, TRP36C, TRP84C, TYR114C, TYR128F, TYR153F, TYR193C, TYR31C, VAL152C, VAL161C, VAL18F, VAL2C, VAL47F, VAL60F, VAL63F, VAL65F, VAL87C
• D-F: ALA10D, ALA145F, ALA147F, ARG7D, ASN144F, ASN5D, ASN83F, GLU82F, GLY69F, LEU9D, PHE149F, PHE8D, PRO6D, THR146F, THR148F, THR68F, TYR3D, VAL70F