3M8N

crystal structure of a possible gutathione s-tranferase from rhodopseudomonas palustris

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 50
  • Norm. En. per Res.: -5.2733
• 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	-71.5819	-104.5802	-371.932	-548.0942	135	9	11	13704	9	26	33
A-C	-4.6681	-14.5404	-3.5636	-22.772	23	4	0	649	0	11	10
A-D	-31.7439	-10.4359	-245.161	-287.3408	97	12	6	9994	1	31	28
B-D	-48.7296	-31.1232	-183.81	-263.6628	50	13	5	5959	2	31	23
C-D	-62.7861	-81.5797	-352.487	-496.8527	126	10	10	13108	7	21	33

Interface residues

• A-B: ALA101A, ALA101B, ALA126A, ALA126B, ALA136A, ALA136B, ALA137A, ALA137B, ALA152A, ALA152B, ALA153A, ALA153B, ALA159B, ALA162A, ALA162B, ALA46B, ALA65A, ALA65B, ALA69A, ALA69B, ALA75A, ALA75B, ALA81A, ALA89A, ALA89B, ALA91A, ALA91B, ARG133A, ARG133B, ARG62A, ARG62B, ARG85A, ARG85B, ARG88A, ARG88B, ASN105A, ASN12A, ASN12B, ASN143A, ASN143B, ASN148B, ASN48A, ASN48B, ASN68A, ASN68B, ASP129A, ASP129B, ASP83B, ASP87A, ASP87B, GLN123A, GLN139A, GLN139B, GLN52A, GLN52B, GLN93A, GLN93B, GLN99A, GLN99B, GLU103A, GLU103B, GLU66A, GLU66B, GLU90A, GLU90B, GLU98A, GLU98B, GLY154A, GLY154B, GLY51A, GLY51B, GLY77A, GLY77B, HIS100A, HIS100B, HIS125A, HIS144A, HIS144B, ILE158A, ILE158B, ILE70A, ILE70B, LEU1A, LEU23A, LEU23B, LEU45B, LEU55A, LEU55B, LEU56A, LEU56B, LEU64A, LEU64B, LEU71A, LEU71B, LEU74A, LEU74B, LEU92A, LEU92B, LYS15A, LYS15B, PHE96A, PHE96B, PHE97A, PHE97B, PRO104A, PRO104B, PRO49A, PRO49B, PRO82B, SER108A, SER50A, SER50B, SER67A, SER67B, THR58A, THR58B, THR78A, THR78B, THR84A, THR84B, TRP130A, TRP72A, TRP72B, TRP94A, TRP94B, TYR2A, TYR2B, TYR63A, TYR63B, TYR73A, TYR73B, VAL140A, VAL140B, VAL76A, VAL76B
• A-C: ALA153C, ARG36A, ARG40A, ARG85C, ASN143C, ASN148C, ASP121A, ASP149C, ASP83C, ASP87C, GLU38A, GLY118A, GLY119A, GLY154C, HIS144C, LEU145C, LYS117A, LYS146C, PRO42A, PRO82C, THR147C, THR41A, THR84C
• A-D: ALA109A, ALA126A, ALA214D, ALA215D, ALA46D, ALA59D, ARG120A, ARG133A, ARG36A, ARG40A, ARG62D, ARG9A, ASN105A, ASN12A, ASN48A, ASN48D, ASP121A, ASP129A, ASP209D, ASP33A, ASP43D, GLN123A, GLN52A, GLN99A, GLU103A, GLU216D, GLU38A, GLU57D, GLU66A, GLY107A, GLY118A, GLY119A, GLY11A, GLY217D, GLY37A, GLY51A, GLY61D, HIS100A, HIS125A, HIS218D, HIS219D, HIS220D, HIS221D, HIS222D, ILE106A, ILE34A, LEU102A, LEU115A, LEU122A, LEU127A, LEU1D, LEU35A, LEU45A, LEU45D, LEU55D, LEU56D, LYS117A, LYS15A, LYS3D, LYS47D, PHE111A, PHE213D, PHE44A, PHE44D, PRO104A, PRO210D, PRO42A, PRO42D, PRO49A, PRO49D, PRO54A, PRO60D, SER0D, SER108A, SER10A, SER13A, SER212D, SER39A, SER50A, SER67A, THR124A, THR211D, THR41A, THR41D, THR58D, TRP112A, TRP130A, TYR110A, TYR14A, TYR166A, TYR2D, TYR63D, TYR73D, VAL116A, VAL169A, VAL32A, VAL53A
• B-D: ALA101B, ALA126B, ALA136B, ALA137B, ALA207D, ALA208D, ALA214D, ALA215D, ARG133B, ARG28D, ASN143B, ASP129B, ASP209D, GLN139B, GLN99B, GLU103B, GLU128B, GLU132B, GLU142B, GLU216D, GLY134B, GLY217D, HIS100B, HIS144B, HIS218D, HIS219D, HIS220D, HIS221D, HIS222D, HIS223D, ILE206D, LEU102B, LEU127B, LEU131B, LEU138B, LYS146B, LYS3D, PHE180B, PHE213D, PHE97B, PRO104B, PRO210D, SER0D, SER212D, THR179B, THR211D, TRP130B, TYR135B, VAL140B, VAL30D
• C-D: ALA101C, ALA101D, ALA136C, ALA136D, ALA137C, ALA137D, ALA152C, ALA152D, ALA153C, ALA153D, ALA162C, ALA162D, ALA46D, ALA65C, ALA65D, ALA69C, ALA69D, ALA75C, ALA75D, ALA81C, ALA89C, ALA89D, ALA91C, ALA91D, ARG133C, ARG133D, ARG62C, ARG62D, ARG85C, ARG85D, ARG88C, ARG88D, ASN12C, ASN12D, ASN143C, ASN143D, ASN148D, ASN48C, ASN48D, ASN68C, ASN68D, ASP87C, ASP87D, GLN139C, GLN139D, GLN52C, GLN52D, GLN93C, GLN93D, GLN99C, GLN99D, GLU103C, GLU103D, GLU66C, GLU66D, GLU90C, GLU90D, GLU98C, GLU98D, GLY154C, GLY154D, GLY51C, GLY51D, GLY77C, GLY77D, HIS100C, HIS100D, HIS144C, HIS144D, ILE158C, ILE158D, ILE70C, ILE70D, LEU1C, LEU1D, LEU23C, LEU23D, LEU45D, LEU55C, LEU55D, LEU56C, LEU56D, LEU64C, LEU64D, LEU71C, LEU71D, LEU74C, LEU74D, LEU92C, LEU92D, LYS15C, PHE96C, PHE96D, PHE97C, PHE97D, PRO104C, PRO104D, PRO49C, PRO49D, PRO82D, SER108C, SER50C, SER50D, SER67C, SER67D, THR58C, THR58D, THR78C, THR78D, THR84C, THR84D, TRP130C, TRP72C, TRP72D, TRP94C, TRP94D, TYR2C, TYR2D, TYR63C, TYR63D, TYR73C, TYR73D, VAL140C, VAL140D, VAL76C, VAL76D