3G5O

the crystal structure of the toxin-antitoxin complex relbe2 (rv2865- 2866) from mycobacterium tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 118
  • Norm. En. per Res.: -8.3567
• 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	-134.0141	-338.2659	-513.814	-986.094	118	26	13	18667	21	61	28
A-C	-10.9979	0.0	-26.1272	-37.1251	16	2	0	1147	0	3	1
A-D	-87.9318	-33.0079	-351.868	-472.8077	115	13	34	15035	4	13	8
B-C	0.0	0.0	-0.0247	-0.0247	5	0	0	8	0	5	8
B-D	-2.322	0.0	-16.4855	-18.8075	20	0	0	755	0	2	0
C-D	-121.2973	-266.9159	-467.023	-855.2362	121	25	13	18253	14	62	30

Interface residues

• A-B: ALA26B, ALA39B, ALA40B, ALA45B, ALA49A, ALA63A, ALA65B, ALA70B, ALA72A, ALA74A, ALA76A, ALA79A, ALA91A, ARG21B, ARG27B, ARG28B, ARG36B, ARG55B, ARG61B, ARG62B, ARG68A, ARG71B, ARG72B, ARG76B, ARG80B, ARG82A, ARG90A, ARG92B, ARG96B, ARG97A, ARG98A, ASP29B, ASP50A, ASP75A, ASP77A, ASP82B, ASP87A, ASP94B, GLN31A, GLN33A, GLN56A, GLN64A, GLU43B, GLU51A, GLU53A, GLU57A, GLU63B, GLU69A, GLU73A, GLU86A, GLU88A, GLU92A, GLY47B, GLY57B, GLY66A, GLY81A, GLY85A, GLY94A, HIS31B, HIS95B, ILE37B, ILE67A, ILE71A, ILE78A, ILE89A, ILE90B, LEU30B, LEU33B, LEU38B, LEU54B, LEU55A, LEU59A, LEU60B, LEU62A, LEU64B, LEU77B, LEU78B, LEU91B, LYS32B, LYS58B, MET8A, PHE22B, PHE44B, PHE46B, PHE68B, PHE93A, PRO35B, PRO59B, PRO65A, PRO96A, SER50B, SER54A, SER69B, SER70A, SER80A, THR19B, THR23B, THR24B, THR25B, THR30A, THR58A, THR67B, THR83A, THR87B, TRP52A, TRP61A, TYR60A, TYR75B, TYR79B, TYR84A, VAL20B, VAL41B, VAL42B, VAL56B, VAL88B, VAL89B, VAL93B, VAL95A
• A-C: ALA63A, ARG61C, ARG62C, GLN56A, GLN64A, GLU57A, GLU63C, LEU55A, LEU59A, LEU60C, LEU62A, LEU64C, PRO65A, TRP52A, TRP61A, TYR60A
• A-D: ALA26A, ALA26D, ALA41A, ALA41D, ALA43A, ALA43D, ALA44A, ALA44D, ALA49A, ALA49D, ALA63A, ALA63D, ARG68A, ARG68D, ASN21A, ASN21D, ASN39A, ASP25A, ASP25D, ASP32A, ASP32D, ASP50A, ASP50D, GLN31A, GLN31D, GLN33A, GLN33D, GLN56A, GLN56D, GLN64A, GLN64D, GLU22A, GLU22D, GLU51A, GLU51D, GLU53A, GLU53D, GLU57A, GLU57D, GLU69A, GLU69D, GLY18A, GLY18D, GLY48A, GLY48D, GLY66A, GLY66D, ILE13A, ILE13D, ILE16A, ILE16D, ILE34A, ILE34D, ILE36A, ILE36D, ILE67A, ILE67D, LEU20A, LEU20D, LEU46A, LEU46D, LEU55A, LEU55D, LEU59A, LEU59D, LEU62A, LEU62D, LYS17A, LYS17D, LYS19A, LYS19D, LYS38A, LYS38D, MET8A, MET8D, PHE23A, PHE23D, PRO12A, PRO12D, PRO42A, PRO42D, PRO65A, PRO65D, SER14A, SER14D, SER28A, SER28D, SER29A, SER29D, SER54A, SER54D, THR15A, THR15D, THR30A, THR30D, THR35A, THR35D, THR37A, THR37D, THR58A, THR58D, TRP52A, TRP52D, TRP61A, TRP61D, TYR60A, TYR60D, VAL24A, VAL24D, VAL27A, VAL27D, VAL45A, VAL45D, VAL47A, VAL47D
• B-C: ARG62B, ARG62C, ARG76B, ARG76C, GLU63C
• B-D: ALA41D, ALA63D, ARG55B, ARG61B, ARG62B, ARG68D, ARG92B, GLN56D, GLN64D, GLU57D, GLU63B, LEU55D, LEU59D, LEU62D, LEU64B, PRO42D, PRO65D, THR58D, TRP52D, TYR60D
• C-D: ALA26C, ALA39C, ALA40C, ALA45C, ALA49D, ALA63D, ALA65C, ALA70C, ALA72D, ALA74D, ALA76D, ALA79D, ALA91D, ALA97C, ARG21C, ARG27C, ARG28C, ARG36C, ARG51C, ARG61C, ARG62C, ARG68D, ARG71C, ARG76C, ARG80C, ARG82D, ARG90D, ARG92C, ARG96C, ARG97D, ARG98D, ASP29C, ASP32D, ASP50D, ASP75D, ASP77D, ASP82C, ASP87D, ASP94C, ASP98C, GLN31D, GLN33D, GLN56D, GLN64D, GLU43C, GLU51D, GLU53D, GLU57D, GLU63C, GLU69D, GLU73D, GLU86D, GLU88D, GLU92D, GLY47C, GLY57C, GLY66D, GLY81D, GLY85D, GLY94D, HIS31C, HIS95C, ILE37C, ILE67D, ILE71D, ILE78D, ILE89D, ILE90C, LEU30C, LEU33C, LEU38C, LEU55D, LEU59D, LEU60C, LEU62D, LEU64C, LEU77C, LEU78C, LEU91C, LYS32C, LYS58C, MET8D, PHE22C, PHE44C, PHE46C, PHE68C, PHE93D, PRO35C, PRO59C, PRO65D, PRO96D, SER50C, SER54D, SER69C, SER70D, SER80D, THR19C, THR23C, THR24C, THR25C, THR30D, THR58D, THR67C, THR74C, THR83D, THR87C, TRP52D, TRP61D, TYR60D, TYR75C, TYR79C, TYR84D, VAL20C, VAL41C, VAL42C, VAL45D, VAL47D, VAL88C, VAL89C, VAL93C, VAL95D