3QNJ

crystal structure of the substrate binding domain of e.coli dnak in complex with the antimicrobial peptide oncocin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 58
  • Norm. En. per Res.: -4.5585
• Hub Node: A(3)

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	-14.2702	-30.3773	-63.4895	-108.137	73	2	1	3057	4	50	52
A-C	-43.9801	-36.3354	-184.075	-264.3906	58	7	6	7432	2	5	7
A-D	-7.28	-18.7775	-34.7118	-60.7693	17	2	0	1246	0	9	5
B-C	0.0	0.0	-1.0084	-1.0084	5	0	0	120	0	2	1
B-D	-45.8627	-2.3135	-186.297	-234.4733	56	5	6	7434	0	9	6

Interface residues

• A-B: ALA448A, ALA448B, ALA449A, ALA449B, ALA521B, ALA525A, ALA525B, ARG445A, ARG445B, ARG447A, ARG447B, ARG517B, ARG536A, ARG536B, ASN451A, ASN451B, ASN458B, ASN508B, ASN522A, ASN522B, ASP450A, ASP450B, ASP510A, ASP518A, ASP518B, ASP526A, ASP526B, ASP580A, GLN456A, GLN456B, GLU402A, GLU402B, GLU511A, GLU511B, GLU520B, GLU524A, GLU573A, GLU579A, GLU579B, GLY405A, GLY406A, GLY455B, GLY506B, GLY578A, GLY578B, HIS439A, HIS439B, ILE438B, ILE499B, LEU441A, LEU441B, LEU507B, LEU532A, LEU576A, LYS452A, LYS452B, LYS502B, LYS514A, LYS514B, LYS528A, LYS577A, LYS577B, MET515A, MET515B, PHE457B, PHE529A, PHE529B, SER453A, SER453B, SER505B, THR437A, THR437B, THR574A
• A-C: ALA429A, ALA435A, ALA448A, ALA488A, ARG467A, ARG536A, ARG9C, ASN432A, ASN537A, ASP431A, ASP540A, GLN424A, GLN433A, GLN471A, GLN534A, GLN538A, GLU402A, GLU430A, GLU473A, GLY405A, GLY406A, GLY468A, HIS439A, HIS541A, HIS544A, ILE401A, ILE438A, ILE462A, ILE472A, LEU411A, LEU459A, LEU543A, LEU576A, LEU7C, LYS3C, LYS491A, MET404A, MET469A, PHE426A, PRO10C, PRO466A, PRO470A, PRO4C, PRO5C, PRO8C, SER427A, SER434A, THR403A, THR409A, THR410A, THR428A, THR437A, TYR6C, VAL407A, VAL425A, VAL436A, VAL474A, VAL533A
• A-D: ALA519A, ALA521A, ALA523A, ARG11D, ARG445A, ARG517A, ASN522A, ASP518A, GLN513A, GLU520A, GLU524A, LYS514A, MET515A, PRO10D, PRO12D, PRO13D, VAL516A
• B-C: ARG9C, ASP510B, LYS514B, PRO10C, PRO8C
• B-D: ALA429B, ALA435B, ALA488B, ARG11D, ARG467B, ARG9D, ASN432B, ASN458B, ASN537B, ASP431B, ASP460B, GLN424B, GLN433B, GLN456B, GLN471B, GLN534B, GLN538B, GLU402B, GLU430B, GLU473B, GLY405B, GLY406B, GLY468B, HIS439B, HIS541B, HIS544B, ILE401B, ILE438B, ILE462B, ILE472B, LEU411B, LEU459B, LEU7D, MET404B, MET469B, PHE426B, PHE457B, PRO10D, PRO470B, PRO4D, PRO5D, PRO8D, SER427B, SER434B, THR403B, THR409B, THR410B, THR428B, THR437B, TYR6D, VAL407B, VAL425B, VAL436B, VAL440B, VAL474B, VAL533B