2DTU

crystal structure of the beta hairpin loop deletion variant of rb69 gp43 in complex with dna containing an abasic site analog

• Total interactions analyzed: 66
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 103
  • Norm. En. per Res.: -3.1524
• 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	-3.0225	-11.9708	-14.9933	18	0	1	651	1	18	16
A-D	0.0	0.0	-0.0448	-0.0448	6	0	0	25	0	9	6
B-C	0.0	12.7417	-70.1547	-57.413	61	2	0	3376	0	31	25
B-D	-29.6026	-43.8381	-251.259	-324.6997	103	18	5	10829	3	41	39

Interface residues

• A-B: ARG449A, ARG449B, ASN675A, ASN675B, ASP452A, ASP452B, ASP466A, ASP466B, GLU672A, LYS465A, LYS465B, LYS677A, SER451A, SER451B, TYR454A, TYR454B, VAL453A, VAL453B
• A-D: GLU525A, GLU837D, LYS529A, LYS765D, LYS769D, MET1A
• B-C: ALA46C, ALA721B, ARG384C, ARG642B, ARG74C, ARG750B, ARG751B, ASN645B, ASN711B, ASP452C, ASP643B, ASP77C, CYS41C, GLN171B, GLN382C, GLN45C, GLN70C, GLN754B, GLN773B, GLU43C, GLU448C, GLU722B, GLU747B, GLU755B, GLU762B, GLU766B, GLU76C, GLU770B, GLY694B, GLY697B, GLY79C, HIS40C, HIS504B, ILE78C, LEU170B, LEU693B, LEU725B, LEU753B, LEU774B, LEU80C, LYS60C, LYS696B, LYS73C, LYS769B, MET75C, PHE767B, PRO390C, PRO42C, PRO691B, PRO692B, PRO723B, SER44C, SER695B, SER759B, THR58C, THR644B, TRP647B, TRP713B, TRP71C, TYR763B, VAL453C
• B-D: ALA629D, ALA655D, ALA662D, ALA886B, ALA887B, ALA895B, ALA895D, ARG403B, ARG403D, ARG642D, ARG656D, ARG658B, ARG658D, ARG665D, ASN402B, ASN402D, ASN606D, ASP634B, ASP634D, ASP649D, ASP652D, ASP890B, ASP890D, ASP899B, ASP902B, CYS609B, CYS609D, GLN761B, GLU607B, GLU607D, GLU612B, GLU638B, GLU638D, GLU657B, GLU657D, GLU757B, GLU757D, GLY610B, GLY610D, GLY613B, GLY637B, GLY637D, HIS646D, ILE400B, ILE632B, ILE632D, ILE633B, ILE633D, ILE698B, LEU605B, LEU605D, LEU651B, LEU651D, LEU889B, LEU889D, LEU897B, LEU897D, LYS405B, LYS405D, LYS631B, LYS631D, LYS635B, LYS635D, LYS640D, LYS653D, LYS696B, LYS696D, LYS888B, LYS888D, LYS893B, LYS893D, LYS894B, LYS894D, MET659B, MET659D, MET900B, PHE616D, PHE641D, PHE650B, PHE650D, PHE654B, PHE654D, PHE898B, PHE898D, PHE901B, PHE903B, PRO401B, SER639D, SER885B, SER885D, SER896B, SER896D, THR611B, THR611D, THR884B, TRP647D, TYR604B, TYR604D, TYR891B, VAL608B, VAL608D, VAL636B, VAL636D