3KKE

crystal structure of a laci family transcriptional regulator from mycobacterium smegmatis

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 154
  • Norm. En. per Res.: -3.5308
• 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	-45.3899	11.8391	-119.663	-153.2138	98	3	8	5296	4	47	57
A-D	-41.2789	-92.5191	-321.835	-455.633	143	11	17	13087	7	12	18
B-C	-57.0786	-125.5794	-361.091	-543.749	154	10	17	14267	10	21	28

Interface residues

• A-B: ALA135A, ALA135B, ALA136A, ALA187A, ALA187B, ALA192A, ALA192B, ALA204A, ALA204B, ALA206A, ALA206B, ALA212A, ALA212B, ALA213A, ALA213B, ALA317A, ALA317B, ARG149A, ARG149B, ARG153A, ARG153B, ARG194A, ARG194B, ARG195A, ARG195B, ARG209B, ARG316A, ARG316B, ASP131A, ASP131B, ASP132A, ASP132B, ASP190A, ASP190B, ASP217A, ASP217B, ASP320A, ASP320B, GLN162A, GLN162B, GLN193A, GLN193B, GLU139A, GLU139B, GLU197A, GLU197B, GLU201A, GLU201B, GLU211A, GLU211B, GLY140A, GLY140B, GLY152A, GLY152B, GLY155A, GLY155B, GLY198A, GLY198B, GLY207A, GLY207B, GLY315A, GLY315B, HIS189A, HIS189B, HIS312A, HIS312B, ILE188A, ILE188B, LEU200A, LEU200B, LEU203A, LEU203B, LEU208A, LEU208B, LEU318A, LEU318B, LYS196A, LYS196B, PHE182A, PRO151A, PRO151B, SER184A, SER205A, SER205B, SER210A, SER210B, THR202A, THR202B, THR319A, THR319B, TYR199A, TYR199B, VAL150A, VAL150B, VAL154A, VAL154B, VAL215A, VAL215B
• A-D: ALA222A, ALA222D, ALA254A, ALA254D, ALA255A, ALA255D, ALA258A, ALA258D, ALA262A, ALA262D, ALA290A, ALA290D, ALA74A, ALA74D, ALA77A, ALA77D, ALA87A, ARG117A, ARG117D, ARG264A, ARG264D, ARG333A, ARG333D, ASN253A, ASN253D, ASN72A, ASN72D, ASN73A, ASN73D, ASP100A, ASP223A, ASP223D, ASP285A, ASP285D, ASP70A, ASP70D, ASP78A, ASP78D, ASP93A, ASP93D, GLN108A, GLN299D, GLN84A, GLN84D, GLN98A, GLN98D, GLU115A, GLU115D, GLU221A, GLU221D, GLU334A, GLU334D, GLY116A, GLY116D, GLY225A, GLY257A, GLY257D, GLY266A, GLY266D, GLY65A, GLY65D, GLY82D, GLY97A, GLY97D, HIS90A, ILE64A, ILE64D, ILE67A, ILE67D, ILE99A, ILE99D, LEU112A, LEU112D, LEU259A, LEU259D, LEU263A, LEU263D, LEU265A, LEU265D, LEU291A, LEU291D, LEU66A, LEU66D, LEU95A, LEU95D, LEU96A, LEU96D, MET79A, MET79D, MET85A, MET85D, PHE76A, PHE76D, PHE80A, PHE80D, PRO289A, PRO289D, PRO69A, SER226A, SER226D, SER260A, SER260D, SER284A, SER284D, SER81A, SER81D, SER88A, SER88D, SER91A, SER91D, THR261A, THR261D, THR281A, THR281D, THR286A, THR286D, THR335A, THR63A, THR63D, THR92A, THR92D, TRP220D, TRP282A, TRP282D, TYR288A, TYR288D, VAL118A, VAL118D, VAL252A, VAL252D, VAL256A, VAL256D, VAL283A, VAL283D, VAL287A, VAL287D, VAL68A, VAL68D, VAL71A, VAL71D, VAL75D, VAL94A, VAL94D
• B-C: ALA222B, ALA222C, ALA254B, ALA254C, ALA255B, ALA255C, ALA258B, ALA258C, ALA262B, ALA262C, ALA290B, ALA290C, ALA55B, ALA74B, ALA74C, ALA77B, ALA77C, ALA87B, ALA87C, ARG104B, ARG117B, ARG117C, ARG264B, ARG264C, ARG333B, ARG333C, ARG57B, ARG57C, ARG60B, ARG60C, ASN253B, ASN253C, ASN72B, ASN72C, ASN73B, ASN73C, ASP119B, ASP223B, ASP223C, ASP285B, ASP285C, ASP70B, ASP70C, ASP78B, ASP78C, ASP93B, ASP93C, GLN84B, GLN84C, GLN98B, GLN98C, GLU115B, GLU115C, GLU221B, GLU221C, GLU334B, GLU334C, GLY116B, GLY116C, GLY225C, GLY257B, GLY257C, GLY266B, GLY266C, GLY62B, GLY62C, GLY65B, GLY65C, GLY97B, GLY97C, HIS58B, HIS58C, HIS90B, HIS90C, ILE64B, ILE64C, ILE67B, ILE67C, ILE99C, LEU112B, LEU112C, LEU259B, LEU259C, LEU263B, LEU263C, LEU265B, LEU265C, LEU291B, LEU291C, LEU56B, LEU66B, LEU66C, LEU95B, LEU95C, LEU96B, LEU96C, MET79B, MET79C, MET85B, PHE76B, PHE76C, PHE80B, PHE80C, PRO289B, PRO289C, SER114B, SER226B, SER226C, SER260B, SER260C, SER284B, SER284C, SER59B, SER59C, SER61B, SER61C, SER81B, SER81C, SER88B, SER88C, SER91B, SER91C, THR261B, THR261C, THR281B, THR281C, THR286B, THR286C, THR63B, THR63C, THR92B, THR92C, TRP282B, TRP282C, TYR288B, TYR288C, VAL113B, VAL118B, VAL118C, VAL252B, VAL252C, VAL256B, VAL256C, VAL283B, VAL283C, VAL287B, VAL287C, VAL68B, VAL68C, VAL71B, VAL71C, VAL75B, VAL94B, VAL94C