2XW6

the crystal structure of methylglyoxal synthase from thermus sp. gh5 bound to phosphate ion.

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 94
  • Norm. En. per Res.: -3.5837
• Hub Node: A(1)

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-C	-21.3497	-43.63	-271.891	-336.8707	94	8	7	10908	2	16	23
B-C	0.0	-1.1013	-32.7699	-33.8712	17	0	0	1220	0	3	5

Interface residues

• A-C: ALA107A, ALA107C, ALA112A, ALA112C, ALA113A, ALA113C, ALA115A, ALA115C, ALA75A, ALA75C, ALA85A, ALA94C, ARG2A, ARG2C, ARG80A, ARG80C, ARG97A, ARG97C, ASN109A, ASN109C, ASP100A, ASP100C, ASP81A, ASP81C, ASP91A, ASP91C, CYS99A, CYS99C, GLN121A, GLN121C, GLN93A, GLN93C, GLU114A, GLU114C, GLY103A, GLY103C, HIS102A, HIS102C, HIS9A, HIS9C, ILE117A, ILE117C, LEU106A, LEU106C, LEU116A, LEU116C, LEU120A, LEU120C, LEU123A, LEU123C, LEU74A, LEU74C, LEU83A, LEU83C, LEU95A, LEU95C, LEU96A, LEU96C, LYS12A, LYS12C, MET111A, MET111C, PHE78A, PHE78C, PHE79A, PHE79C, PRO105A, PRO105C, PRO110A, PRO110C, PRO118A, PRO118C, PRO82A, PRO82C, SER122A, SER122C, THR108A, THR108C, THR84A, THR84C, TRP119A, TRP119C, VAL101A, VAL101C, VAL104A, VAL104C, VAL68A, VAL68C, VAL76A, VAL76C, VAL92A, VAL92C, VAL98A, VAL98C
• B-C: ALA85B, ASP81B, GLN86B, GLN86C, GLU89C, GLY56C, GLY59C, HIS88C, LEU58C, LEU83B, PRO57C, PRO82B, PRO87B, PRO87C, PRO90C, SER55C, THR84B