3GEU

crystal structure of icar from staphylococcus aureus, a member of the tetracycline repressor protein family

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 158
  • Norm. En. per Res.: -3.5784
• 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	-47.9011	-3.3566	-475.359	-526.6167	163	13	18	19400	1	34	36
A-C	0.0	12.8231	-1.8075	11.0155	9	0	0	237	0	6	3
A-D	-5.7706	6.8564	-14.8431	-13.7573	27	0	0	971	1	15	14
B-D	0.0	-4.2296	-1.7214	-5.951	6	0	0	218	0	3	6
C-D	-47.889	-26.7999	-490.695	-565.3839	158	15	16	19880	2	29	33

Interface residues

• A-B: ALA156A, ALA156B, ALA164A, ALA164B, ARG94A, ARG94B, ASN101A, ASN101B, ASN109A, ASN109B, ASN118A, ASN118B, ASN143A, ASN143B, ASN181A, ASN181B, ASP140A, ASP140B, ASP174A, ASP174B, ASP19A, ASP19B, ASP25B, GLN115A, GLN115B, GLN142A, GLN142B, GLN160A, GLN160B, GLN171A, GLN171B, GLN98A, GLN98B, GLU104A, GLU104B, GLU105A, GLU105B, GLU139A, GLU139B, GLU150A, GLU150B, GLU15A, GLU15B, GLU167B, GLU175A, GLU175B, GLU90A, GLY108A, GLY108B, GLY112A, GLY112B, GLY163A, GLY163B, GLY17A, GLY17B, GLY20A, GLY20B, ILE110A, ILE110B, ILE114A, ILE114B, ILE145A, ILE145B, ILE182A, ILE182B, ILE93A, ILE93B, LEU117A, LEU117B, LEU12B, LEU144A, LEU144B, LEU146A, LEU146B, LEU147A, LEU147B, LEU149A, LEU149B, LEU154A, LEU154B, LEU179A, LEU179B, LEU180A, LEU180B, LEU184B, LEU99A, LEU99B, LYS135A, LYS135B, LYS138A, LYS155A, LYS155B, LYS161A, LYS161B, LYS16A, LYS16B, LYS186B, LYS44A, LYS44B, PHE106A, PHE106B, PHE13A, PHE13B, PHE141A, PHE141B, PHE148A, PHE148B, PHE158A, PHE158B, PHE162A, PHE162B, PHE172A, PHE183A, PHE183B, PHE56A, PHE56B, PRO103A, PRO103B, SER100A, SER100B, SER107A, SER107B, SER122A, SER14A, SER14B, SER151A, SER151B, SER157A, SER157B, SER159A, SER159B, SER168A, SER168B, SER178A, SER178B, THR102A, THR102B, THR137A, THR137B, THR21A, THR21B, THR22B, TRP152A, TRP152B, TYR111A, TYR111B, TYR153A, TYR153B, TYR177B, TYR18A, TYR18B, TYR48A, TYR48B, TYR96A, TYR96B, VAL165A, VAL165B, VAL176A, VAL176B, VAL52A, VAL52B, VAL97A, VAL97B
• A-C: ASP116A, GLN115A, GLN119A, GLU105C, GLU49C, LYS123A, LYS45C, PHE106C, SER107C
• A-D: ALA164D, ASN109A, ASP116A, ASP42A, GLN113A, GLN160D, GLN50A, GLU166D, GLU167D, GLU49A, GLY108A, GLY112A, GLY163D, ILE110A, LYS161D, LYS169D, LYS173D, LYS2A, LYS45A, LYS53A, PHE106A, PHE162D, SER159D, SER170D, SER43A, SER46A, VAL165D
• B-D: ASN31D, GLU166B, GLU167B, LYS169B, LYS28D, SER170B
• C-D: ALA156C, ALA156D, ALA164C, ALA164D, ARG94C, ARG94D, ASN101C, ASN101D, ASN109C, ASN109D, ASN118C, ASN118D, ASN143C, ASN143D, ASN181C, ASN181D, ASP140C, ASP140D, ASP174C, ASP174D, ASP19C, ASP19D, GLN113D, GLN115C, GLN115D, GLN119C, GLN142C, GLN142D, GLN160C, GLN160D, GLN171C, GLN171D, GLN98C, GLN98D, GLU104C, GLU104D, GLU105C, GLU105D, GLU139C, GLU139D, GLU150C, GLU150D, GLU15C, GLU15D, GLU167D, GLU175C, GLU175D, GLY108D, GLY112C, GLY112D, GLY163C, GLY163D, GLY17C, GLY17D, GLY20C, GLY20D, ILE110C, ILE110D, ILE114C, ILE114D, ILE134D, ILE145C, ILE145D, ILE182C, ILE182D, ILE93C, ILE93D, LEU117C, LEU117D, LEU12D, LEU144C, LEU144D, LEU146C, LEU146D, LEU147C, LEU147D, LEU149C, LEU149D, LEU154C, LEU154D, LEU179C, LEU179D, LEU180C, LEU180D, LEU184D, LEU99C, LEU99D, LYS135C, LYS135D, LYS155C, LYS155D, LYS161C, LYS161D, LYS16C, LYS16D, LYS186D, PHE106C, PHE106D, PHE13C, PHE13D, PHE141C, PHE141D, PHE148C, PHE148D, PHE158C, PHE158D, PHE162C, PHE162D, PHE172C, PHE183C, PHE183D, PHE56C, PHE56D, PRO103C, PRO103D, SER100C, SER100D, SER107D, SER122C, SER14C, SER14D, SER151C, SER151D, SER157C, SER157D, SER159C, SER159D, SER168C, SER168D, SER178C, SER178D, THR102C, THR102D, THR137C, THR137D, THR21C, THR21D, THR22D, TRP152C, TRP152D, TYR111C, TYR111D, TYR153C, TYR153D, TYR177D, TYR18C, TYR18D, TYR48C, TYR48D, TYR96C, TYR96D, VAL165D, VAL176C, VAL176D, VAL52C, VAL52D, VAL97C, VAL97D