3S04

crystal structure of escherichia coli type i signal peptidase in complex with an arylomycin lipoglycopeptide antibiotic

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-I
  • Int. Res.: 33
  • Norm. En. per Res.: -4.1334
• 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	-57.6505	0.0	-77.415	-135.0655	51	7	1	3019	0	12	8
A-J	-41.1476	0.0	-82.3465	-123.4941	31	5	7	2823	0	0	0
B-I	-45.0215	0.0	-91.3803	-136.4018	33	3	8	2858	0	0	0

Interface residues

• A-B: ALA180A, ALA180B, ARG227A, ARG227B, ASN179A, ASN187A, ASN187B, GLN168A, GLN168B, GLU164A, GLU164B, GLU189A, GLU189B, GLU229A, GLU229B, GLY232A, GLY232B, ILE167A, ILE167B, LEU165A, LEU165B, LEU181A, LEU181B, LYS228A, LYS228B, PRO169A, PRO169B, PRO182A, PRO182B, PRO190A, PRO190B, SER162A, SER162B, SER186A, SER186B, THR166A, THR166B, THR184A, THR184B, THR230A, THR230B, THR235A, THR235B, TYR185A, TYR185B, VAL161A, VAL161B, VAL183A, VAL183B, VAL188A, VAL188B
• A-J: ALA280A, ALA6J, ASP143A, GLN86A, GLU83A, GLY4J, GLY90A, ILE102A, ILE145A, ILE87A, LEU142A, LEU96A, LYS141A, LYS146A, MET92A, PHE101A, PHE134A, PHE85A, PRO84A, PRO88A, SER279A, SER89A, SER91A, TRP285A, TYR136A, TYR144A, TYR7J, VAL104A, VAL132A, VAL133A, VAL294A
• B-I: ALA280B, ALA6I, ASP143B, GLN86B, GLU83B, GLY273B, GLY4I, GLY90B, ILE102B, ILE145B, ILE87B, LEU142B, LEU96B, LYS141B, LYS146B, MET92B, PHE101B, PHE134B, PHE85B, PRO84B, PRO88B, SER279B, SER89B, SER91B, TRP285B, TRP301B, TYR136B, TYR144B, TYR7I, VAL104B, VAL132B, VAL133B, VAL294B