3NRE

crystal structure of a putative aldose 1-epimerase (b2544) from escherichia coli k12 at 1.59 a resolution

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 67
  • Norm. En. per Res.: -2.1718
• 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	-5.6545	10.1271	-149.983	-145.5103	67	6	1	6181	0	30	39
A-D	0.0	0.0	-11.4188	-11.4188	34	1	0	857	0	1	3
C-D	-5.7231	0.7061	-138.279	-143.2959	67	5	1	5957	0	30	37

Interface residues

• A-B: ALA175A, ALA175B, ALA79A, ALA79B, ARG170A, ARG170B, ARG264A, ARG264B, ARG61A, ARG61B, ARG67A, ARG67B, ASN60A, ASN60B, ASP260A, ASP260B, ASP78B, GLN172A, GLN172B, GLN70A, GLN70B, GLN72A, GLN72B, GLU171A, GLU171B, GLU177A, GLU177B, GLU68A, GLU68B, GLY176A, GLY176B, GLY59A, GLY59B, GLY66A, GLY66B, HIS262A, HIS262B, HIS263A, HIS263B, HIS80A, HIS80B, LEU168A, LEU168B, LEU174A, LEU174B, LEU71A, LEU71B, PHE178A, PHE178B, PHE62A, PHE62B, PRO265A, PRO265B, PRO73A, PRO73B, SER58A, SER58B, TRP167A, TRP167B, TYR69A, TYR69B, TYR81A, TYR81B, VAL57A, VAL57B, VAL63A, VAL63B
• A-D: ALA220A, ALA220D, ARG158D, ARG211A, ARG211D, ARG286A, ARG286D, ASN189A, ASN189D, ASN207A, ASN207D, ASP187A, GLN160A, GLN160D, GLN162A, GLN162D, GLN190A, GLN190D, GLN209A, GLN209D, GLU213A, GLU213D, GLU224A, GLU224D, GLU288A, GLU288D, ILE222A, LEU290A, LEU290D, PRO191A, PRO191D, PRO215D, TRP289A, TRP289D
• C-D: ALA175C, ALA175D, ALA79C, ALA79D, ARG170C, ARG170D, ARG264C, ARG264D, ARG61C, ARG61D, ARG67C, ARG67D, ASN60C, ASN60D, ASP260C, ASP260D, ASP78D, GLN172C, GLN172D, GLN70C, GLN70D, GLN72C, GLN72D, GLU171C, GLU171D, GLU177C, GLU177D, GLU68C, GLU68D, GLY176C, GLY176D, GLY59C, GLY59D, GLY66C, GLY66D, HIS262C, HIS262D, HIS263C, HIS263D, HIS80C, HIS80D, LEU168C, LEU168D, LEU174C, LEU174D, LEU71C, LEU71D, PHE178C, PHE178D, PHE62C, PHE62D, PRO265C, PRO265D, PRO73C, PRO73D, SER58C, SER58D, TRP167C, TRP167D, TYR69C, TYR69D, TYR81C, TYR81D, VAL57C, VAL57D, VAL63C, VAL63D