3MEL

crystal structure of thiamin pyrophosphokinase family protein from enterococcus faecalis, northeast structural genomics consortium target efr150

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 155
  • Norm. En. per Res.: -3.4759
• 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-B	-74.9875	-39.099	-424.683	-538.7695	155	24	7	16964	0	45	46
A-D	-74.2079	39.6532	-171.657	-206.2117	80	10	3	6536	4	19	26
C-D	-58.6386	-32.8516	-414.528	-506.0181	149	28	8	16661	2	45	44

Interface residues

• A-B: ALA101A, ALA101B, ALA111A, ALA111B, ALA157A, ALA157B, ALA188A, ALA188B, ALA207A, ALA207B, ALA73A, ALA73B, ARG105A, ARG105B, ARG120A, ARG120B, ARG31A, ASN112A, ASN112B, ASN11A, ASN11B, ASN135A, ASN135B, ASN190A, ASN190B, ASP107A, ASP107B, ASP132A, ASP132B, ASP14A, ASP14B, ASP213A, ASP213B, ASP76A, ASP76B, CYS131A, CYS131B, CYS159A, CYS159B, CYS160A, CYS160B, GLN122A, GLN122B, GLN134A, GLN134B, GLN210A, GLN210B, GLN81A, GLN81B, GLU118A, GLU118B, GLU154A, GLU154B, GLU191A, GLU191B, GLU74A, GLU74B, GLY100A, GLY100B, GLY103A, GLY103B, GLY104A, GLY104B, GLY10A, GLY10B, GLY9A, GLY9B, HIS108A, HIS108B, HIS35A, HIS35B, ILE106A, ILE106B, ILE137A, ILE137B, ILE206A, ILE206B, ILE209A, ILE209B, LEU109A, LEU109B, LEU110A, LEU110B, LEU113A, LEU113B, LEU115A, LEU115B, LEU130A, LEU130B, LEU156A, LEU156B, LEU161A, LEU161B, LEU176B, LYS153A, LYS153B, LYS173A, LYS173B, LYS212A, LYS212B, LYS214A, LYS214B, LYS75A, LYS75B, PHE117A, PHE117B, PHE121A, PHE121B, PRO116A, PRO116B, PRO119A, PRO119B, PRO12A, PRO12B, PRO163A, PRO163B, PRO182A, PRO182B, PRO184A, PRO184B, SER136A, SER136B, SER13B, SER186A, SER186B, SER189A, SER189B, SER211A, SER211B, THR102A, THR102B, THR162A, THR162B, THR185A, THR185B, THR78A, THR78B, TRP114A, TRP114B, TYR139A, TYR139B, TYR155A, TYR155B, TYR158A, TYR158B, TYR174A, TYR174B, TYR183A, TYR183B, TYR187A, TYR187B, VAL181A, VAL181B, VAL208A, VAL208B
• A-D: ALA46A, ALA46D, ALA71A, ALA71D, ALA73A, ALA73D, ALA83A, ALA83D, ALA87A, ALA87D, ARG120A, ARG120D, ARG55A, ARG55D, ARG90A, ARG90D, ASP49A, ASP49D, ASP77A, ASP77D, GLN44A, GLN44D, GLN62A, GLN62D, GLN70A, GLN70D, GLN81A, GLN81D, GLN85A, GLN85D, GLN89A, GLN89D, GLU63A, GLU63D, GLU66A, GLU66D, GLU74A, GLU74D, GLU86A, GLU86D, GLY48A, GLY48D, HIS59A, HIS59D, ILE69A, ILE69D, LEU45A, LEU45D, LEU68A, LEU68D, LEU82A, LEU82D, LEU84A, LEU84D, LEU88A, LEU88D, LYS75A, LYS75D, PHE121A, PHE121D, PHE50A, PHE50D, PHE91A, PHE91D, PRO72A, PRO72D, PRO92A, PRO92D, THR65A, THR65D, THR67A, THR67D, TYR25A, TYR25D, TYR58A, TYR58D, VAL47A, VAL47D, VAL61A, VAL61D
• C-D: ALA101C, ALA101D, ALA111C, ALA111D, ALA157C, ALA157D, ALA188C, ALA188D, ALA207C, ALA207D, ALA73C, ALA73D, ARG105C, ARG105D, ARG120C, ARG120D, ARG133C, ASN112C, ASN112D, ASN11C, ASN11D, ASN135C, ASN135D, ASN190C, ASN190D, ASP107C, ASP107D, ASP132C, ASP132D, ASP14C, ASP14D, ASP213C, ASP213D, ASP76C, ASP76D, CYS131C, CYS131D, CYS159C, CYS159D, CYS160C, CYS160D, GLN122C, GLN122D, GLN134C, GLN134D, GLN210C, GLN210D, GLN81C, GLN81D, GLU118C, GLU118D, GLU154C, GLU154D, GLU191C, GLU191D, GLU74C, GLU74D, GLY100C, GLY103C, GLY103D, GLY104C, GLY104D, GLY10C, GLY10D, GLY9C, HIS108C, HIS108D, HIS35C, ILE106C, ILE106D, ILE137C, ILE137D, ILE206C, ILE206D, ILE209C, ILE209D, LEU109C, LEU109D, LEU110C, LEU110D, LEU113C, LEU113D, LEU115C, LEU115D, LEU130C, LEU130D, LEU156C, LEU156D, LEU161C, LEU161D, LEU176C, LYS153C, LYS153D, LYS173C, LYS173D, LYS212C, LYS212D, LYS214C, LYS214D, LYS75C, LYS75D, PHE117C, PHE117D, PHE121C, PRO116C, PRO116D, PRO119C, PRO119D, PRO12C, PRO163C, PRO163D, PRO182C, PRO182D, PRO184C, PRO184D, SER136C, SER136D, SER186C, SER186D, SER189C, SER189D, SER211C, SER211D, SER52D, THR102C, THR102D, THR162C, THR162D, THR185C, THR185D, THR78C, THR78D, TRP114C, TRP114D, TYR139D, TYR155C, TYR155D, TYR158C, TYR158D, TYR174C, TYR174D, TYR183C, TYR183D, TYR187C, TYR187D, VAL181C, VAL181D, VAL208C, VAL208D