3NIV

the crystal structure of glutathione s-transferase from legionella pneumophila

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 41
  • Norm. En. per Res.: -3.7414
• Hub Node: B(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	-17.9697	-51.9138	-486.676	-556.5595	152	20	15	19230	6	36	38
B-C	-43.8865	-3.8293	-105.681	-153.3968	41	7	7	4501	0	9	11
B-D	0.0	0.0	-1.0663	-1.0663	4	0	0	74	0	0	1
C-D	-26.9191	-45.5273	165.628	93.1816	152	13	16	18633	3	37	39

Interface residues

• A-B: ALA102A, ALA102B, ALA123A, ALA123B, ALA142A, ALA142B, ALA69A, ALA69B, ALA92A, ALA92B, ALA98A, ALA98B, ARG112A, ARG112B, ARG116A, ARG116B, ARG14A, ARG14B, ASN109A, ASN109B, ASN110A, ASN110B, ASN115A, ASN115B, ASN122A, ASN122B, ASN124A, ASN124B, ASP104A, ASP104B, ASP58A, ASP58B, ASP72A, ASP72B, ASP87A, ASP87B, CYS103A, CYS103B, GLN120A, GLN120B, GLN127A, GLN127B, GLN62A, GLN62B, GLN66A, GLN66B, GLU119A, GLU119B, GLU126A, GLU126B, GLU130A, GLU130B, GLU145B, GLU75A, GLU75B, GLU76A, GLU76B, GLY139A, GLY139B, GLY61A, GLY61B, HIS106A, HIS106B, HIS133A, HIS133B, HIS134A, HIS134B, HIS78A, HIS78B, ILE100A, ILE100B, ILE59A, ILE59B, ILE63A, ILE63B, ILE70A, ILE70B, ILE71A, ILE71B, ILE77A, ILE77B, LEU108A, LEU108B, LEU111A, LEU111B, LEU114A, LEU114B, LEU117A, LEU117B, LEU129A, LEU129B, LEU150B, LEU53A, LEU57A, LEU57B, LEU64A, LEU64B, LEU74A, LEU74B, LEU84A, LEU84B, LEU94A, LEU94B, LEU99A, LEU99B, LYS118A, LYS118B, LYS137B, LYS146A, LYS146B, LYS86A, LYS86B, LYS91A, LYS91B, LYS95A, LYS95B, PHE121A, PHE121B, PHE89A, PHE89B, PRO107A, PRO107B, PRO85A, PRO85B, PRO88A, PRO88B, SER56A, SER56B, SER65A, SER65B, SER67A, SER67B, SER96A, SER96B, THR138A, THR138B, THR93A, THR93B, TRP131A, TRP131B, TRP135A, TRP135B, TYR132A, TYR132B, TYR73A, TYR73B, VAL101A, VAL101B, VAL113A, VAL113B, VAL128A, VAL128B
• B-C: ALA201B, ALA205B, ALA25B, ARG16B, ASN20B, ASN35C, ASP204B, ASP58C, ASP5B, ASP5C, GLU27B, GLU27C, GLU30B, GLU30C, HIS32C, ILE210B, ILE24B, ILE29B, ILE29C, ILE2B, ILE2C, ILE63C, LEU19B, LEU1B, LEU21B, LEU33C, LEU3B, LEU53C, LYS22B, LYS23B, LYS28B, LYS28C, PRO200B, SER56C, TYR26B, TYR4B, TYR4C, VAL31B, VAL31C, VAL34C, VAL54C
• B-D: ASN60B, GLN62B, GLU145D, GLY61B
• C-D: ALA102C, ALA102D, ALA123C, ALA123D, ALA142C, ALA142D, ALA69C, ALA69D, ALA92C, ALA92D, ALA98C, ALA98D, ARG112C, ARG112D, ARG116C, ARG116D, ARG14C, ARG14D, ASN109C, ASN109D, ASN110C, ASN110D, ASN115C, ASN115D, ASN122C, ASN122D, ASN124C, ASN124D, ASN60C, ASP104C, ASP104D, ASP58C, ASP58D, ASP72C, ASP72D, ASP87C, ASP87D, CYS103C, CYS103D, GLN120C, GLN120D, GLN127C, GLN127D, GLN62C, GLN62D, GLN66C, GLN66D, GLU119C, GLU119D, GLU126C, GLU126D, GLU130C, GLU130D, GLU52D, GLU76C, GLU76D, GLY139C, GLY139D, GLY61C, GLY61D, HIS106C, HIS106D, HIS133C, HIS133D, HIS134C, HIS134D, HIS78C, HIS78D, ILE100C, ILE100D, ILE59C, ILE59D, ILE63C, ILE63D, ILE70C, ILE70D, ILE71C, ILE71D, ILE77C, ILE77D, LEU108C, LEU108D, LEU111C, LEU111D, LEU114C, LEU114D, LEU117C, LEU117D, LEU129C, LEU129D, LEU136C, LEU1D, LEU53C, LEU57C, LEU57D, LEU64C, LEU64D, LEU74C, LEU74D, LEU84C, LEU84D, LEU94C, LEU94D, LEU99C, LEU99D, LYS118C, LYS118D, LYS137D, LYS146C, LYS146D, LYS86C, LYS86D, LYS91C, LYS91D, LYS95C, LYS95D, PHE121C, PHE121D, PHE143C, PHE89C, PHE89D, PRO107C, PRO107D, PRO85C, PRO85D, PRO88C, PRO88D, SER56C, SER65C, SER65D, SER67C, SER67D, SER96C, SER96D, THR138C, THR138D, THR93C, THR93D, TRP131C, TRP131D, TRP135C, TRP135D, TYR132C, TYR132D, TYR73C, TYR73D, VAL101C, VAL101D, VAL113C, VAL113D, VAL128C, VAL128D