3DDM

crystal structure of mandelate racemase/muconate lactonizing enzyme from bordetella bronchiseptica rb50

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 119
  • Norm. En. per Res.: -3.0636
• Hub Node: B(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	-3.8397	14.9056	-74.3183	-63.2524	53	7	4	3286	0	11	9
B-C	-37.9194	2.657	-329.303	-364.5654	119	19	4	13520	4	23	25
B-D	-9.1441	0.2691	-39.0371	-47.9122	33	3	2	1961	0	11	13
C-D	-4.7416	0.0	-104.66	-109.4016	81	4	9	5095	6	4	7

Interface residues

• A-B: ALA129B, ALA132B, ALA138B, ALA240A, ALA241A, ALA244A, ALA247A, ALA269A, ALA271A, ALA272A, ALA297A, ALA300A, ALA301A, ALA365B, ALA51B, ALA8B, ARG130B, ARG131B, ARG14B, ARG216A, ARG273A, ARG276A, ASP47B, ASP49B, GLN134B, GLN248A, GLU245A, GLU267A, GLU44B, GLU46B, GLY133B, GLY302A, GLY364B, GLY367B, GLY369B, GLY50B, GLY53B, LEU127B, LEU270A, LEU303A, PHE266A, PRO135B, PRO366B, SER274A, SER48B, THR268A, THR371B, TRP243A, TRP54B, VAL298A, VAL299A, VAL370B, VAL52B
• B-C: ALA101B, ALA101C, ALA104B, ALA104C, ALA114B, ALA114C, ALA206B, ALA236B, ALA236C, ALA261B, ALA261C, ALA63B, ALA63C, ALA66B, ALA66C, ALA70B, ALA70C, ALA98B, ALA98C, ARG21B, ARG21C, ARG235B, ARG235C, ARG238B, ARG238C, ARG69B, ARG69C, ARG71B, ARG71C, ARG99B, ARG99C, ASN207B, ASN207C, ASN259B, ASN259C, ASN60B, ASN60C, ASP205B, ASP205C, ASP237B, ASP237C, CYS59B, CYS59C, CYS64B, CYS64C, GLN106B, GLN106C, GLN115B, GLN115C, GLN208B, GLN208C, GLU109B, GLU109C, GLU231B, GLU232B, GLU232C, GLU258B, GLU258C, GLU67B, GLU67C, GLU74B, GLU74C, GLU97B, GLU97C, GLY108B, GLY108C, GLY111B, GLY111C, GLY209B, GLY209C, GLY257B, GLY65B, GLY65C, HIS308B, HIS308C, HIS36B, HIS68B, HIS68C, ILE105B, ILE105C, ILE260B, ILE260C, LEU103B, LEU103C, LEU113B, LEU113C, LEU234B, LEU234C, LEU310B, LEU310C, LEU72B, LEU72C, LYS284B, LYS284C, PHE61B, PHE61C, PRO110B, PRO110C, PRO112B, PRO112C, PRO62B, PRO62C, PRO79C, THR100B, THR100C, THR107B, THR107C, THR75B, THR75C, TRP210B, TRP243C, TRP58B, TRP58C, VAL102B, VAL102C, VAL73B, VAL73C, VAL76B, VAL76C
• B-D: ALA240B, ALA241B, ALA83D, ALA85D, ALA87D, ALA8D, ARG131D, ARG214B, ARG216B, ARG235B, ARG238B, ARG84D, ASP211B, ASP47D, ASP49D, ASP88D, GLN217B, GLN91D, GLU242B, GLU245B, ILE10D, LEU212B, LEU234B, LEU81D, PHE86D, PRO12D, PRO213B, PRO239B, SER48D, SER9D, THR11D, THR82D, TRP210B
• C-D: ALA138C, ALA138D, ALA264C, ALA264D, ALA271C, ALA271D, ALA272C, ALA272D, ALA295C, ALA295D, ALA297C, ALA297D, ALA300C, ALA300D, ALA301C, ALA301D, ALA325C, ALA325D, ALA330C, ALA330D, ALA90C, ALA90D, ALA94C, ALA94D, ALA98C, ALA98D, ARG273C, ARG273D, ARG296C, ARG296D, ASP88C, ASP88D, GLN134C, GLN134D, GLN91C, GLN91D, GLU267C, GLU267D, GLY141C, GLY141D, GLY142C, GLY142D, GLY302C, GLY302D, GLY328C, GLY328D, LEU140C, LEU140D, LEU270C, LEU270D, LEU292C, LEU292D, LEU303C, LEU303D, LEU329C, LEU329D, PHE266C, PHE266D, PRO293C, PRO293D, PRO327C, PRO327D, SER143C, SER143D, SER331C, SER331D, THR268C, THR268D, TRP139C, TRP139D, TYR305C, VAL263C, VAL263D, VAL294C, VAL294D, VAL298C, VAL298D, VAL299C, VAL299D, VAL326C, VAL326D