3RMU

crystal structure of human methylmalonyl-coa epimerase, mcee

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 156
  • Norm. En. per Res.: -3.1749
• 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	-43.0397	-1.6966	-412.299	-457.0353	159	16	15	19048	0	10	28
A-C	-9.1621	-27.5334	-21.4415	-58.137	27	1	0	920	2	5	2
A-D	0.0	0.0	-0.0302	-0.0302	6	0	0	19	0	0	0
B-C	-5.4693	0.3853	-29.9272	-35.0112	28	0	0	1254	0	8	7
B-D	-16.5908	-18.0784	-24.0654	-58.7346	24	3	0	1109	2	8	5
C-D	-51.8011	-1.6894	-441.788	-495.2786	156	17	16	19398	0	9	27

Interface residues

• A-B: ALA117A, ALA117B, ALA133A, ALA133B, ALA52A, ALA52B, ALA54A, ALA54B, ALA61A, ALA61B, ALA62A, ALA62B, ALA63A, ALA63B, ALA71A, ALA71B, ARG143A, ARG143B, ARG47A, ARG47B, ASN115A, ASN115B, ASN49A, ASN49B, ASN67A, ASN67B, ASN90A, ASN90B, ASN93A, ASN93B, ASP136A, ASP136B, ASP165A, ASP165B, ASP57A, ASP57B, CYS124A, CYS124B, CYS166A, CYS166B, GLN72A, GLN72B, GLU126A, GLU126B, GLU172A, GLU172B, GLU59A, GLU59B, GLY118A, GLY118B, GLY119A, GLY119B, GLY167A, GLY167B, GLY168A, GLY168B, GLY46A, GLY46B, GLY70A, GLY70B, GLY92A, GLY92B, HIS121A, HIS121B, HIS122A, HIS122B, HIS162A, HIS162B, HIS50A, HIS50B, ILE123A, ILE123B, ILE125A, ILE125B, ILE142A, ILE142B, ILE159A, ILE159B, ILE53A, ILE53B, ILE68A, ILE68B, LEU112A, LEU112B, LEU137A, LEU137B, LEU145A, LEU145B, LEU161A, LEU161B, LEU170A, LEU170B, LEU173A, LEU173B, LEU45A, LEU45B, LEU48A, LEU48B, LEU58A, LEU58B, LEU69A, LEU69B, LEU91A, LEU91B, LEU98A, LEU98B, LEU99B, LYS114A, LYS114B, LYS116A, LYS116B, LYS140A, LYS140B, LYS141A, LYS141B, LYS164A, LYS164B, LYS60A, LYS60B, LYS66A, LYS66B, LYS95A, LYS95B, MET0A, MET0B, MET120A, MET120B, MET96A, MET96B, PHE111A, PHE111B, PHE64A, PHE64B, PRO163A, PRO163B, PRO56A, PRO56B, SER-1A, SER-1B, SER144A, SER144B, THR94A, THR94B, TYR65A, TYR65B, VAL127A, VAL127B, VAL169A, VAL169B, VAL171A, VAL171B, VAL51A, VAL51B, VAL55A, VAL55B, VAL73A, VAL73B, VAL89A, VAL89B
• A-C: ALA132C, ALA133C, ALA176A, ARG47A, ASN129C, ASN131C, ASN90A, ASN93A, ASP128A, ASP128C, ASP136C, GLN175C, GLU126A, GLY46A, GLY46C, GLY92A, ILE130C, LEU45A, LEU45C, LEU48A, LEU91A, LYS95A, MET0A, MET0C, SER-1C, THR94A, VAL127C
• A-D: GLN72A, GLN72D, GLY70A, GLY70D, GLY92A, LEU91A
• B-C: ALA176B, ALA176C, ARG47B, ARG47C, ASN129C, ASN49B, ASN90B, ASN93B, ASN93C, ASP128C, GLN175B, GLN175C, GLN72B, GLU126B, GLU126C, GLY46C, GLY92B, GLY92C, ILE130C, LEU45C, LEU91B, LYS156B, LYS156C, LYS95B, MET0C, SER-1C, THR94B, VAL127C
• B-D: ALA176B, ALA176D, ARG47B, ARG47D, ASN129B, ASN90D, ASN93D, ASP128B, GLN175B, GLN72D, GLU126B, GLY46B, GLY92D, LEU45B, LEU91D, LYS156B, LYS156D, LYS95D, MET0B, SER-1B, SER74D, THR94D, VAL127B, VAL73D
• C-D: ALA117C, ALA117D, ALA133C, ALA133D, ALA52C, ALA52D, ALA54C, ALA54D, ALA61C, ALA61D, ALA62C, ALA62D, ALA63C, ALA63D, ALA71C, ALA71D, ARG143C, ARG143D, ARG47C, ARG47D, ASN115C, ASN115D, ASN49C, ASN49D, ASN67C, ASN67D, ASN90C, ASN90D, ASN93C, ASN93D, ASP136C, ASP136D, ASP165C, ASP165D, ASP57C, ASP57D, CYS124C, CYS124D, CYS166C, CYS166D, GLN72C, GLN72D, GLU126C, GLU126D, GLU172D, GLU59C, GLU59D, GLY118C, GLY118D, GLY119C, GLY119D, GLY167C, GLY167D, GLY168C, GLY168D, GLY46C, GLY46D, GLY70C, GLY70D, GLY92C, GLY92D, HIS121C, HIS121D, HIS122C, HIS122D, HIS162C, HIS162D, HIS50C, HIS50D, ILE123C, ILE123D, ILE125C, ILE125D, ILE142C, ILE142D, ILE159D, ILE53C, ILE53D, ILE68C, ILE68D, LEU112C, LEU112D, LEU137C, LEU137D, LEU145C, LEU145D, LEU161C, LEU161D, LEU170C, LEU170D, LEU173C, LEU173D, LEU45C, LEU45D, LEU48C, LEU48D, LEU58C, LEU58D, LEU69C, LEU69D, LEU91C, LEU91D, LEU98C, LEU98D, LEU99C, LYS114C, LYS114D, LYS116C, LYS140C, LYS140D, LYS141C, LYS141D, LYS164C, LYS164D, LYS60C, LYS60D, LYS66C, LYS66D, LYS95C, LYS95D, MET0C, MET0D, MET120C, MET120D, MET96C, MET96D, PHE111C, PHE111D, PHE64C, PHE64D, PRO163C, PRO163D, PRO56C, PRO56D, SER-1C, SER-1D, SER144C, SER144D, THR94C, THR94D, TYR65C, TYR65D, VAL127C, VAL127D, VAL169C, VAL169D, VAL171C, VAL171D, VAL51C, VAL51D, VAL55C, VAL55D, VAL73C, VAL73D, VAL89C, VAL89D