2GRX

crystal structure of tonb in complex with fhua, e. coli outer membrane receptor for ferrichrome

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 126
  • Norm. En. per Res.: -2.4793
• 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	0.0	-0.8824	-0.8824	16	0	0	158	0	4	2
A-C	-56.726	-10.7238	-244.944	-312.3937	126	28	13	12212	1	36	21
B-D	-14.1861	-12.3993	-71.1516	-97.737	75	7	7	4668	1	29	15

Interface residues

• A-B: ASN291A, HIS288A, HIS288B, LEU361A, PHE286A, PHE286B, PHE290A, PHE290B, PHE294A, PHE294B, PRO223B, THR227A, THR227B, TRP221A, TRP221B, TYR190B
• A-C: ALA13A, ALA14A, ALA165C, ALA167C, ALA169C, ALA16A, ALA196C, ALA199C, ALA209C, ALA25A, ALA26A, ALA29A, ALA587A, ALA588A, ALA591A, ALA678A, ALA683A, ARG158C, ARG166C, ARG171C, ARG187C, ARG204C, ARG211C, ARG212C, ARG214C, ARG31A, ARG543A, ARG674A, ARG679A, ARG724A, ASN159C, ASN200C, ASN208C, ASN227C, ASN233C, ASN594A, ASN686A, ASP182A, ASP185A, ASP186A, ASP187A, ASP542A, ASP630A, ASP635A, ASP676A, GLN160C, GLN162C, GLN168C, GLN175C, GLN18A, GLN192C, GLU159A, GLU163A, GLU19A, GLU203C, GLU205C, GLU541A, GLU56A, GLY174C, GLY188A, GLY223C, GLY234C, GLY636A, GLY640A, GLY681A, GLY684A, ILE172C, ILE193C, ILE224C, ILE228C, ILE232C, ILE28A, ILE545A, ILE9A, LEU161A, LEU170C, LEU194C, LEU229C, LEU589A, LEU677A, LYS162A, LYS177C, LYS197C, LYS207C, LYS231C, MET201C, MET210C, MET682A, PHE180C, PHE202C, PHE230C, PHE633A, PHE634A, PHE723A, PHE725A, PRO15A, PRO160A, PRO161C, PRO164C, PRO17A, PRO198C, PRO24A, PRO544A, SER183A, SER590A, SER592A, SER639A, SER685A, THR10A, THR12A, THR158A, THR235C, THR27A, THR632A, THR642A, THR8A, TRP213C, TYR163C, TYR675A, VAL11A, VAL176C, VAL178C, VAL206C, VAL225C, VAL226C, VAL593A
• B-D: ALA165D, ALA167D, ALA169D, ALA199D, ALA209D, ALA25B, ALA26B, ALA29B, ALA587B, ALA588B, ALA591B, ALA678B, ALA683B, ARG166D, ARG171D, ARG187D, ARG204D, ARG211D, ARG212D, ARG214D, ARG31B, ARG543B, ARG679B, ARG724B, ASN159D, ASN200D, ASN208D, ASN594B, ASP182B, ASP185B, ASP186B, ASP187B, ASP542B, ASP630B, ASP635B, ASP676B, GLN162D, GLN168D, GLU159B, GLU19B, GLU203D, GLU205D, GLU541B, GLU56B, GLY188B, GLY640B, GLY681B, GLY684B, ILE172D, ILE28B, ILE545B, LEU161B, LEU170D, LEU589B, LYS162B, LYS207D, MET201D, MET682B, PHE633B, PHE634B, PHE725B, PRO160B, PRO164D, PRO198D, PRO24B, PRO544B, SER183B, SER590B, SER592B, SER639B, SER685B, THR158B, THR27B, THR632B, VAL593B