3ONQ

crystal structure of regulator of polyketide synthase expression bad_0249 from bifidobacterium adolescentis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 63
  • Norm. En. per Res.: -1.9687
• 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	-2.5699	-37.8969	-83.5585	-124.0253	63	1	2	3882	1	20	21
A-C	-20.1029	-18.6511	-189.321	-228.0751	119	5	9	8477	0	23	19
A-D	0.0	26.3805	-26.2069	0.1736	46	0	0	1602	0	23	21
B-D	-26.933	-2.7594	-181.851	-211.5434	113	7	9	8204	0	23	17
C-D	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	1	3

Interface residues

• A-B: ALA25B, ALA62A, ALA65A, ALA65B, ALA6B, ALA70A, ALA74A, ARG138B, ARG23B, ARG37B, ARG72A, ARG76A, ASN32B, ASP10B, ASP17A, ASP18A, ASP77A, CYS28B, GLN145B, GLN5B, GLU27B, GLU81A, GLY14B, GLY46A, GLY79A, GLY80A, GLY89B, HIS15A, HIS15B, HIS82A, ILE8B, LEU11B, LEU12B, LEU169B, LEU24B, LEU29B, LEU30B, LEU41B, LEU45A, LEU64A, LEU64B, LEU69A, LEU78A, LEU93B, LYS73A, PHE142B, PHE26B, PHE91B, SER13B, SER63A, SER63B, SER66A, SER68A, THR19A, THR19B, THR20A, THR20B, THR31B, THR67A, THR87B, THR90B, TYR88B, VAL38B
• A-C: ALA146A, ALA146C, ALA147A, ALA147C, ALA149A, ALA149C, ALA167A, ALA167C, ALA174A, ALA174C, ALA244A, ALA244C, ALA250A, ALA250C, ALA252A, ALA252C, ARG166A, ARG166C, ARG175A, ARG175C, ARG242A, ARG242C, ARG255A, ARG255C, ARG257A, ARG257C, ARG259A, ARG259C, ASN211A, ASP118A, ASP171A, ASP171C, ASP172A, ASP172C, ASP240A, ASP240C, ASP258A, ASP258C, GLN145A, GLN145C, GLU119A, GLU119C, GLU165A, GLU165C, GLY170A, GLY170C, GLY206A, GLY206C, GLY254A, GLY254C, GLY89C, ILE253A, ILE253C, LEU121A, LEU144A, LEU144C, LEU150A, LEU150C, LEU157A, LEU162A, LEU162C, LEU163A, LEU163C, LEU168A, LEU168C, LEU169A, LEU169C, LEU178A, LEU178C, LEU203A, LEU203C, LEU247A, LEU247C, LEU251A, LEU251C, LYS204A, LYS204C, PHE142A, PHE142C, PHE202A, PHE202C, PHE91A, PHE91C, PRO120A, PRO120C, PRO148A, PRO148C, PRO153A, PRO164A, PRO164C, PRO241A, PRO241C, SER143A, SER151A, SER151C, SER200A, SER207A, SER207C, SER208A, SER208C, THR152A, THR152C, THR201A, THR239A, THR239C, THR248A, THR248C, THR249A, THR249C, THR90A, THR90C, TYR205A, TYR205C, TYR245A, TYR245C, VAL246A, VAL246C, VAL59A, VAL59C
• A-D: ALA110A, ALA131D, ALA62A, ARG138D, ARG155A, ARG175D, ARG180D, ARG257D, ARG37D, ASN32D, ASP118A, ASP172D, ASP35D, ASP36D, ASP50D, CYS108A, GLU105A, GLU117A, GLU119A, GLU176D, GLY132D, HIS135D, LEU121A, PHE115A, PRO113A, PRO153A, PRO156A, PRO60A, SER116A, SER128D, SER134D, SER151A, SER154A, SER61A, SER63A, THR109A, THR152A, THR31D, THR34D, THR90A, TYR173D, VAL106A, VAL130D, VAL38D, VAL39D, VAL59A
• B-D: ALA146B, ALA146D, ALA147B, ALA147D, ALA149B, ALA149D, ALA167B, ALA167D, ALA174B, ALA174D, ALA244B, ALA244D, ALA250B, ALA250D, ALA252B, ALA252D, ARG166B, ARG166D, ARG175B, ARG175D, ARG242B, ARG242D, ARG255B, ARG255D, ARG257B, ARG257D, ARG259B, ARG259D, ASN211D, ASP118D, ASP171B, ASP171D, ASP172B, ASP172D, ASP240B, ASP240D, ASP258B, ASP258D, GLN145B, GLN145D, GLU119B, GLU119D, GLU165B, GLU165D, GLY170B, GLY170D, GLY206B, GLY206D, GLY254B, GLY254D, ILE253B, ILE253D, LEU144B, LEU144D, LEU150B, LEU150D, LEU162B, LEU162D, LEU163B, LEU163D, LEU168B, LEU168D, LEU169B, LEU169D, LEU178B, LEU178D, LEU203B, LEU203D, LEU247B, LEU247D, LEU251B, LEU251D, LYS204B, LYS204D, PHE142B, PHE142D, PHE202B, PHE202D, PHE91B, PHE91D, PRO120B, PRO120D, PRO148B, PRO148D, PRO153B, PRO153D, PRO164B, PRO164D, PRO241B, PRO241D, SER151B, SER151D, SER200D, SER207B, SER207D, SER208B, SER208D, THR152B, THR152D, THR201D, THR239B, THR239D, THR248B, THR248D, THR249B, THR249D, THR90D, TYR205B, TYR205D, TYR245B, TYR245D, VAL246B, VAL246D
• C-D: ARG180D, ARG259C