1RII

crystal structure of phosphoglycerate mutase from m. tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 62
  • Norm. En. per Res.: -4.1758
• 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	-21.5992	-58.7204	-221.654	-301.9736	81	3	3	8994	6	30	37
A-C	-60.4048	-91.1193	-107.373	-258.8971	62	11	0	3959	6	20	13
A-D	0.0	0.0	-20.7023	-20.7023	18	1	2	1103	0	8	7
B-C	0.0	0.0	-16.1362	-16.1362	17	1	1	864	0	8	7
B-D	-46.3633	-94.1171	-107.829	-248.3094	61	15	0	4154	6	20	13
C-D	-12.9872	-48.2345	-218.863	-280.0848	80	1	3	8856	5	30	38

Interface residues

• A-B: ALA142A, ALA142B, ALA64A, ALA64B, ALA68A, ALA68B, ALA75A, ALA75B, ARG140A, ARG140B, ARG62A, ARG62B, ARG63A, ARG63B, ARG77A, ARG77B, ARG83A, ARG83B, ARG84A, ARG84B, ASP138A, ASP138B, ASP28A, ASP28B, ASP54A, ASP54B, ASP73A, ASP73B, ASP76A, ASP76B, GLN36A, GLN36B, GLY30A, GLY30B, HIS69A, HIS69B, ILE65A, ILE65B, ILE80A, ILE80B, LEU31A, LEU31B, LEU52A, LEU52B, LEU56A, LEU56B, LEU60A, LEU60B, LEU61A, LEU61B, LEU70A, LEU70B, LEU72A, LEU72B, LEU78A, LEU78B, PRO139A, PRO139B, PRO81A, PRO81B, SER59A, SER59B, SER74A, SER74B, SER85A, SER85B, THR58A, THR58B, THR66A, THR66B, THR67A, THR67B, TRP79A, TRP79B, TRP86A, TRP86B, TYR141A, TYR141B, TYR163A, VAL82A, VAL82B
• A-C: ALA142A, ALA142C, ALA158A, ALA158C, ALA220A, ALA220C, ARG159A, ARG159C, ARG173A, ARG173C, ARG222A, ARG87A, ARG87C, ASP143A, ASP143C, ASP166A, ASP166C, ASP171A, ASP171C, GLY145A, GLY145C, GLY146A, GLY146C, GLY170A, GLY170C, HIS193A, HIS193C, ILE144A, ILE144C, ILE168A, ILE168C, LEU161A, LEU161C, LEU172A, LEU172C, MET221A, MET221C, PHE160A, PHE160C, PHE164A, PHE164C, PRO139A, PRO139C, PRO162A, PRO162C, SER219A, SER219C, SER85A, SER85C, THR165A, THR165C, TRP86A, TRP86C, TYR141A, TYR141C, TYR163A, TYR163C, VAL167A, VAL167C, VAL169A, VAL169C, VAL174A
• A-D: ALA2A, ARG173A, ARG173D, ASN3A, ASN3D, ASP171A, ASP171D, ASP54A, ASP54D, GLY170A, GLY170D, GLY175A, GLY175D, LYS176A, LYS176D, THR4D, VAL174A, VAL174D
• B-C: ALA2C, ARG173B, ARG173C, ASN3B, ASN3C, ASP171B, ASP171C, ASP54B, ASP54C, GLY170B, GLY170C, GLY175B, GLY175C, LYS176B, LYS176C, VAL174B, VAL174C
• B-D: ALA142B, ALA142D, ALA158B, ALA158D, ALA220B, ALA220D, ARG159B, ARG159D, ARG173B, ARG173D, ARG222D, ARG87B, ARG87D, ASP143B, ASP143D, ASP166B, ASP166D, ASP171B, ASP171D, GLY145B, GLY145D, GLY146B, GLY146D, GLY170B, GLY170D, HIS193B, HIS193D, ILE144B, ILE144D, ILE168B, ILE168D, LEU161B, LEU161D, LEU172B, MET221B, MET221D, PHE160B, PHE160D, PHE164B, PHE164D, PRO139B, PRO139D, PRO162B, PRO162D, SER219B, SER219D, SER85B, SER85D, THR165B, THR165D, TRP86B, TRP86D, TYR141B, TYR141D, TYR163B, TYR163D, VAL167B, VAL167D, VAL169B, VAL169D, VAL174B
• C-D: ALA142C, ALA142D, ALA64C, ALA64D, ALA68C, ALA68D, ALA75C, ALA75D, ARG140C, ARG140D, ARG62C, ARG62D, ARG63C, ARG63D, ARG77C, ARG77D, ARG83C, ARG83D, ARG84C, ARG84D, ASP138C, ASP138D, ASP28C, ASP28D, ASP54C, ASP54D, ASP73C, ASP73D, ASP76C, ASP76D, GLN36C, GLN36D, GLY30C, GLY30D, HIS69C, HIS69D, ILE65C, ILE65D, ILE80C, ILE80D, LEU31C, LEU31D, LEU52C, LEU52D, LEU56C, LEU56D, LEU60C, LEU60D, LEU61C, LEU61D, LEU70C, LEU70D, LEU72C, LEU72D, LEU78C, LEU78D, PRO139C, PRO139D, PRO81C, PRO81D, SER59C, SER59D, SER74C, SER74D, SER85C, SER85D, THR58C, THR58D, THR66C, THR66D, THR67C, THR67D, TRP79C, TRP79D, TRP86C, TRP86D, TYR141C, TYR141D, VAL82C, VAL82D