3N4F

crystal structure of mandelate racemase/muconate lactonizing protein from geobacillus sp. y412mc10

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 28
  • Norm. En. per Res.: -2.3285
• 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	-4.0006	-32.3656	-39.472	-75.8382	57	2	0	1987	6	30	26
A-C	-2.7411	-9.1217	-27.9259	-39.7886	35	0	0	1084	4	17	20
A-D	0.0	0.0	-0.0116	-0.0116	8	0	0	14	0	0	1
B-C	0.0	-7.4665	-57.7316	-65.1981	28	3	1	2403	0	11	15
B-D	-21.0721	-30.2224	-34.6516	-85.9462	37	3	0	1342	7	17	19
C-D	-4.0359	-33.797	-26.2672	-64.1002	55	4	0	1850	4	30	24

Interface residues

• A-B: ALA118A, ALA124A, ALA201A, ARG165A, ARG307A, ARG330A, ARG380B, ARG75B, ARG76B, ASN228A, ASN256A, ASN331A, ASN354A, ASN379B, ASP11B, ASP71B, GLU121A, GLU333A, GLU353A, GLU356A, GLU385B, GLU67B, GLU70B, GLY199A, GLY202A, GLY382B, GLY386B, GLY74B, HIS119A, HIS166A, HIS358A, HIS387B, HIS388B, ILE357A, ILE378B, LEU120A, LEU126A, LEU229A, LEU258A, LYS13B, LYS16B, LYS203A, PHE332A, PHE334A, PRO129A, PRO200A, PRO66B, SER125A, SER381B, SER384B, THR122A, THR65B, TRP383B, TYR160A, TYR230A, VAL127A, VAL128A
• A-C: ALA161A, ARG106C, ARG165A, ARG351A, ASN354A, ASP11C, ASP346A, ASP371C, ASP53C, GLN105C, GLN158A, GLN55C, GLN9C, GLU154A, GLU15C, GLU353A, GLU372C, GLY54C, HIS358A, HIS387C, HIS388C, HIS389C, ILE352A, ILE52C, LYS13C, LYS162A, PRO363C, SER348A, THR362C, THR51C, THR56C, TRP102C, TRP12C, TYR160A, VAL368C
• A-D: ALA361A, ALA361D, GLY123A, GLY123D, SER125A, SER125D, THR362A, THR362D
• B-C: ARG380B, ARG380C, ARG49C, ASN379B, ASN379C, ASP370B, ASP370C, ASP371B, ASP371C, GLU343B, GLU372B, GLU372C, GLY344B, GLY382C, ILE378B, ILE378C, LEU373B, LEU373C, LEU377B, LEU377C, SER381B, SER381C, THR375B, THR375C, TYR376B, TYR376C, VAL374B, VAL374C
• B-D: ALA161D, ARG106B, ARG165D, ARG351D, ASN354D, ASP11B, ASP346D, ASP371B, ASP53B, GLN105B, GLN158D, GLN55B, GLN9B, GLU154D, GLU15B, GLU353D, GLU372B, GLY163D, GLY54B, HIS358D, HIS387B, HIS388B, HIS389B, ILE352D, ILE52B, LYS13B, LYS162D, PHE369B, PRO363B, SER348D, THR362B, THR51B, THR56B, TRP102B, TRP12B, TYR160D, VAL368B
• C-D: ALA118D, ALA124D, ALA201D, ARG307D, ARG330D, ARG380C, ARG75C, ARG76C, ASN228D, ASN256D, ASN331D, ASN354D, ASN379C, ASP71C, GLU121D, GLU333D, GLU353D, GLU356D, GLU385C, GLU67C, GLU70C, GLY199D, GLY202D, GLY382C, GLY386C, GLY74C, HIS119D, HIS166D, HIS358D, HIS387C, HIS388C, ILE204D, ILE378C, LEU120D, LEU126D, LEU229D, LEU258D, LYS13C, LYS16C, LYS203D, PHE332D, PHE334D, PRO129D, PRO200D, PRO66C, SER125D, SER381C, SER384C, THR65C, TRP383C, TYR160D, TYR230D, VAL127D, VAL128D, VAL257D