3QYX

crystal structure of mycobacterium tuberculosis espr in complex with a small dna fragment

• Total interactions analyzed: 10
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 45
  • Norm. En. per Res.: -3.1074
• 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-D	-20.792	-0.5212	-355.263	-376.5762	147	34	23	21649	6	62	70
A-B	-27.847	-41.8182	-70.1687	-139.8338	45	12	1	3626	3	16	10
B-C	-25.9205	-20.4741	-396.484	-442.8786	146	28	23	21846	9	60	67

Interface residues

• A-D: ALA104A, ALA104D, ALA107A, ALA107D, ALA113A, ALA113D, ALA114A, ALA114D, ALA128A, ALA128D, ALA133A, ALA33A, ALA33D, ALA36A, ALA36D, ARG101A, ARG101D, ARG102A, ARG102D, ARG106A, ARG106D, ARG121A, ARG121D, ARG126A, ARG126D, ARG127A, ARG127D, ARG22A, ARG22D, ARG70A, ARG70D, ARG96A, ARG96D, ASN67A, ASN67D, ASP120A, ASP120D, ASP123A, ASP123D, ASP132A, ASP97A, ASP97D, ASP98A, ASP98D, CYS93A, CYS93D, GLN105A, GLN105D, GLN115A, GLN115D, GLN116A, GLN116D, GLN90A, GLN90D, GLU124A, GLU124D, GLU129A, GLU129D, GLU29A, GLU29D, GLU37A, GLU37D, GLU88A, GLU88D, GLY109A, GLY109D, GLY130D, GLY21A, GLY21D, GLY38A, GLY38D, GLY99A, GLY99D, HIS108A, HIS108D, HIS25A, HIS25D, ILE103A, ILE103D, ILE122A, ILE122D, ILE131A, ILE131D, ILE39A, ILE39D, ILE71A, ILE71D, LEU110A, LEU110D, LEU119A, LEU119D, LEU125A, LEU125D, LEU13A, LEU13D, LEU34A, LEU34D, LEU65D, LEU85A, LEU85D, LEU89A, LEU89D, LEU92A, LEU92D, LYS117A, LYS117D, LYS35A, LYS35D, LYS72A, LYS72D, LYS84A, LYS84D, LYS87A, LYS87D, MET95A, MET95D, PHE68A, PHE68D, PHE69A, PHE69D, PRO111A, PRO111D, PRO19A, PRO19D, PRO20A, PRO20D, SER112A, SER112D, THR16A, THR16D, THR94A, THR94D, TRP91A, TRP91D, TYR18A, TYR18D, TYR75A, TYR81A, TYR81D, VAL100A, VAL100D, VAL118A, VAL118D, VAL17A, VAL17D, VAL30A, VAL30D
• A-B: ALA60A, ALA60B, ALA63A, ALA63B, ALA73A, ALA73B, ALA74A, ALA74B, ARG54B, ASN56A, ASN56B, ASP78A, ASP78B, ASP79A, ASP79B, GLU80A, GLU80B, GLY59A, GLY59B, LYS72A, LYS72B, LYS84A, MET62A, MET62B, PHE6A, PHE6B, PHE76A, PHE76B, PRO57A, PRO57B, SER58A, SER58B, THR55A, THR55B, THR61A, THR61B, THR77A, THR77B, TYR45A, TYR45B, TYR75A, TYR75B, TYR81A, TYR81B, TYR82B
• B-C: ALA104B, ALA104C, ALA107B, ALA107C, ALA113B, ALA113C, ALA114B, ALA114C, ALA128B, ALA128C, ALA32C, ALA33B, ALA33C, ALA36B, ALA36C, ARG101B, ARG101C, ARG102B, ARG102C, ARG106B, ARG106C, ARG121B, ARG121C, ARG126B, ARG126C, ARG127B, ARG127C, ARG22B, ARG22C, ARG70B, ARG70C, ARG96B, ARG96C, ASN67B, ASN67C, ASP120B, ASP120C, ASP123B, ASP123C, ASP132B, ASP86C, ASP97B, ASP97C, ASP98B, ASP98C, CYS93B, CYS93C, GLN105B, GLN105C, GLN115B, GLN115C, GLN116B, GLN116C, GLN90B, GLN90C, GLU124B, GLU124C, GLU129B, GLU129C, GLU29B, GLU29C, GLU37B, GLU37C, GLU88B, GLU88C, GLY109B, GLY109C, GLY21B, GLY21C, GLY38B, GLY38C, GLY99B, GLY99C, HIS108B, HIS108C, HIS25B, HIS25C, ILE103B, ILE103C, ILE122B, ILE122C, ILE131B, ILE131C, ILE39B, ILE39C, ILE71B, ILE71C, LEU110B, LEU110C, LEU119B, LEU119C, LEU125B, LEU125C, LEU13B, LEU13C, LEU34B, LEU34C, LEU65C, LEU85B, LEU85C, LEU89B, LEU89C, LEU92B, LEU92C, LYS117B, LYS117C, LYS35B, LYS35C, LYS72B, LYS72C, LYS84B, LYS84C, LYS87B, LYS87C, MET95B, MET95C, PHE68B, PHE68C, PHE69B, PHE69C, PRO111B, PRO111C, PRO19B, PRO19C, PRO20B, PRO20C, SER112B, SER112C, THR16B, THR16C, THR94B, THR94C, TRP91B, TRP91C, TYR18B, TYR18C, TYR81B, TYR81C, VAL100B, VAL100C, VAL118B, VAL118C, VAL17B, VAL17C, VAL30B, VAL30C