3LG6

crystal structure of putative glutathione transferase from coccidioides immitis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 198
  • Norm. En. per Res.: -3.8681
• 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	-65.7602	-182.8269	-499.227	-747.8141	199	5	21	21567	12	34	25
A-C	-18.0174	0.0	-104.748	-122.7654	58	3	4	3878	0	0	3
A-D	0.0	0.0	-16.8724	-16.8724	21	0	0	1001	0	0	0
B-C	0.0	0.0	-15.4196	-15.4196	19	0	0	930	0	0	0
B-D	0.0	0.0	-20.6144	-20.6144	26	5	1	1358	0	0	0
C-D	-72.6862	-188.3494	-504.852	-765.8876	198	13	20	21653	11	33	24

Interface residues

• A-B: ALA108A, ALA108B, ALA110A, ALA110B, ALA120A, ALA120B, ALA137A, ALA137B, ALA150A, ALA150B, ALA156A, ALA156B, ALA165A, ALA165B, ALA83A, ALA83B, ALA84A, ALA84B, ALA91A, ALA91B, ARG109A, ARG109B, ARG113A, ARG113B, ARG19A, ARG19B, ASN105A, ASN105B, ASN117A, ASN117B, ASN128A, ASN128B, ASN52A, ASN55A, ASN55B, ASN66A, ASN66B, ASN67A, ASN67B, ASP122A, ASP122B, ASP139A, ASP139B, ASP141A, ASP141B, ASP148A, ASP148B, CYS116A, CYS116B, CYS121A, CYS121B, CYS169A, CYS169B, CYS16A, CYS16B, GLN124A, GLN124B, GLN132A, GLN132B, GLN152A, GLN152B, GLN80A, GLN80B, GLU162A, GLU162B, GLU86A, GLU86B, GLU89A, GLU89B, GLU90A, GLU90B, GLY140A, GLY140B, GLY153A, GLY153B, GLY155B, GLY171A, GLY171B, GLY79A, GLY79B, HIS111A, HIS111B, HIS44A, ILE103A, ILE103B, ILE115A, ILE115B, ILE118A, ILE118B, ILE119A, ILE119B, ILE131A, ILE131B, ILE65A, ILE65B, ILE78A, ILE78B, LEU100A, LEU100B, LEU138A, LEU138B, LEU149A, LEU149B, LEU160A, LEU160B, LEU161A, LEU161B, LEU163A, LEU163B, LEU59A, LEU59B, LEU60A, LEU60B, LEU82A, LEU82B, LEU85A, LEU85B, LEU88A, LEU88B, LEU92A, LEU92B, LYS130A, LYS130B, LYS133A, LYS133B, LYS134A, LYS134B, LYS136A, LYS136B, LYS159A, LYS159B, PHE76A, PHE76B, PRO101A, PRO101B, PRO102A, PRO102B, PRO106A, PRO106B, PRO125A, PRO125B, PRO142A, PRO142B, PRO4B, PRO53A, PRO71A, PRO71B, PRO93A, PRO93B, SER104A, SER104B, SER146A, SER146B, SER164A, SER164B, SER70A, SER70B, SER73A, SER73B, SER75A, SER75B, SER77A, SER77B, SER81A, SER81B, THR114A, THR114B, THR127A, THR127B, THR2B, THR54A, THR56A, THR56B, THR68A, THR68B, TRP145A, TRP145B, TYR87A, TYR87B, VAL107A, VAL107B, VAL112A, VAL112B, VAL123A, VAL123B, VAL126A, VAL126B, VAL135A, VAL135B, VAL144A, VAL144B, VAL157A, VAL157B, VAL170A, VAL170B, VAL62A, VAL62B, VAL69A, VAL69B
• A-C: ALA74A, ALA74C, ALA91A, ALA91C, ALA96A, ALA96C, ARG97A, ARG97C, ASN5A, ASN5C, ASN64A, ASN64C, ASN66A, ASN66C, ASN67A, ASN67C, ASN95A, ASN95C, GLU173A, GLU173C, GLU89A, GLU89C, GLU90A, GLU90C, ILE65A, ILE65C, LEU100A, LEU100C, LEU88A, LEU88C, LEU92A, LEU92C, LYS27A, LYS27C, PHE6A, PHE6C, PHE76A, PHE76C, PRO102A, PRO102C, PRO30A, PRO30C, PRO93A, PRO93C, PRO98A, PRO98C, SER28A, SER28C, SER63A, SER63C, THR68A, THR68C, THR94A, THR94C, TYR87A, TYR87C, VAL62A, VAL62C
• A-D: ALA108D, ALA110D, ARG109A, ASN105D, ASN95A, GLU173D, GLU89A, GLU90A, ILE103A, ILE103D, LEU92A, PRO101D, PRO102A, PRO102D, PRO106D, PRO93A, PRO98A, SER104A, SER104D, THR94A, VAL107D
• B-C: ALA108B, ALA110B, ARG109C, ASN105B, ASN95C, GLU89C, GLU90C, ILE103B, ILE103C, LEU92C, PRO101B, PRO102B, PRO102C, PRO106B, PRO93C, SER104B, SER104C, THR94C, VAL107B
• B-D: ALA96B, ALA96D, ARG109B, ARG109D, ARG97B, ARG97D, ASN105B, ASN105D, ASN95B, ASN95D, ILE103B, ILE103D, LEU92B, PRO102B, PRO102D, PRO106B, PRO106D, PRO93B, PRO93D, PRO98B, PRO98D, SER0B, SER104B, SER104D, THR94B, THR94D
• C-D: ALA108C, ALA108D, ALA110C, ALA110D, ALA120C, ALA120D, ALA137C, ALA137D, ALA150C, ALA150D, ALA156C, ALA156D, ALA165C, ALA165D, ALA83C, ALA83D, ALA84C, ALA84D, ALA91C, ALA91D, ARG109C, ARG109D, ARG113C, ARG113D, ARG19C, ARG19D, ASN105C, ASN105D, ASN117C, ASN117D, ASN128C, ASN128D, ASN52C, ASN55C, ASN55D, ASN66C, ASN66D, ASN67C, ASN67D, ASP122C, ASP122D, ASP139C, ASP139D, ASP141C, ASP141D, ASP148C, ASP148D, CYS116C, CYS116D, CYS121C, CYS121D, CYS169C, CYS169D, CYS16C, CYS16D, GLN124C, GLN124D, GLN132C, GLN132D, GLN152C, GLN152D, GLN80C, GLN80D, GLU162C, GLU162D, GLU86C, GLU86D, GLU89C, GLU89D, GLU90C, GLU90D, GLY140C, GLY140D, GLY153C, GLY153D, GLY171C, GLY171D, GLY79C, GLY79D, HIS111C, HIS111D, HIS44C, ILE103C, ILE103D, ILE115C, ILE115D, ILE118C, ILE118D, ILE119C, ILE119D, ILE131C, ILE131D, ILE65C, ILE65D, ILE78C, ILE78D, LEU100C, LEU100D, LEU138C, LEU138D, LEU149C, LEU149D, LEU160C, LEU160D, LEU161C, LEU161D, LEU163C, LEU163D, LEU59C, LEU59D, LEU60C, LEU60D, LEU82C, LEU82D, LEU85C, LEU85D, LEU88C, LEU88D, LEU92C, LEU92D, LYS130C, LYS130D, LYS133C, LYS133D, LYS134C, LYS134D, LYS136C, LYS136D, LYS159C, LYS159D, LYS49C, MET1D, PHE76C, PHE76D, PRO101C, PRO101D, PRO102C, PRO102D, PRO106C, PRO106D, PRO125C, PRO125D, PRO142C, PRO142D, PRO4D, PRO71C, PRO71D, PRO93C, PRO93D, SER104C, SER104D, SER146C, SER146D, SER164C, SER164D, SER70C, SER70D, SER73C, SER73D, SER75C, SER75D, SER77C, SER77D, SER81C, SER81D, THR114C, THR114D, THR127C, THR127D, THR2D, THR56C, THR56D, THR68C, THR68D, TRP145C, TRP145D, TYR87C, TYR87D, VAL107C, VAL107D, VAL112C, VAL112D, VAL123C, VAL123D, VAL126C, VAL126D, VAL135C, VAL135D, VAL144C, VAL144D, VAL157C, VAL157D, VAL170C, VAL170D, VAL62C, VAL62D, VAL69C, VAL69D