3GDT

crystal structure of the d91n mutant of the orotidine 5'- monophosphate decarboxylase from saccharomyces cerevisiae complexed with 6-azauridine 5'-monophosphate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 130
  • Norm. En. per Res.: -3.2385
• 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-C	0.0	-0.2991	-18.6123	-18.9114	26	0	0	1231	1	11	11
A-D	-59.7316	-38.0387	-323.23	-421.0003	130	11	16	14191	4	28	26
B-C	-2.9924	-2.0894	-27.1508	-32.2326	40	1	0	1460	0	21	19
B-D	0.0	-4.2422	-1.7802	-6.0225	14	0	0	371	0	9	10
C-D	0.0	-2.4532	-16.1483	-18.6015	19	0	0	717	0	10	10

Interface residues

• A-C: ARG186C, ARG39A, ASP67A, GLU163C, GLU43A, GLU71A, GLY157C, GLY162C, GLY72A, LEU159C, LEU45A, LYS166C, LYS42A, LYS75A, MET70A, PHE68A, PRO76A, SER158C, SER69A, THR161C, THR165C, THR40A, THR41A, THR66A, THR73A, TYR164C
• A-D: ALA107A, ALA107D, ALA121A, ALA121D, ALA151A, ALA151D, ALA160A, ALA160D, ALA172A, ALA172D, ALA95A, ALA95D, ARG235A, ARG235D, ARG39A, ARG39D, ARG92A, ARG92D, ASN120A, ASN91A, ASN91D, ASN99A, ASN99D, ASP170A, ASP170D, ASP37A, ASP37D, ASP63A, ASP63D, ASP96A, ASP96D, CYS155A, CYS155D, GLN104A, GLN104D, GLU152A, GLU152D, GLU163A, GLU163D, GLU90A, GLU90D, GLY108A, GLY108D, GLY123A, GLY123D, GLY126A, GLY126D, GLY128A, GLY128D, GLY157A, GLY157D, GLY162A, GLY162D, GLY167A, GLY167D, GLY98A, GLY98D, HIS122A, HIS122D, HIS61A, HIS61D, ILE112A, ILE112D, ILE129A, ILE129D, ILE171A, ILE171D, ILE64A, ILE64D, ILE97A, ILE97D, LEU103A, LEU103D, LEU150A, LEU150D, LEU153A, LEU153D, LEU159A, LEU159D, LEU65A, LEU65D, LYS102A, LYS102D, LYS156A, LYS156D, LYS166A, LYS166D, LYS59A, LYS59D, LYS93A, LYS93D, MET149A, MET149D, PHE68A, PHE94A, PHE94D, PRO127A, PRO127D, SER154A, SER154D, SER158A, SER158D, THR100A, THR100D, THR161A, THR161D, THR165A, THR165D, THR168A, THR168D, THR66A, THR66D, TYR105A, TYR105D, TYR110A, TYR110D, TYR164A, TYR164D, VAL101A, VAL101D, VAL109A, VAL109D, VAL124A, VAL124D, VAL125A, VAL125D, VAL169A, VAL169D, VAL62A, VAL62D
• B-C: ALA10C, ALA11C, ALA19C, ALA4C, ALA82B, ARG252B, ARG9C, ASN23B, ASN85B, ASP177C, ASP192C, GLN265C, GLN266C, GLN29B, GLU249B, GLU257B, GLU27B, GLU8C, GLY194C, HIS13C, HIS26B, LEU260B, LYS176C, LYS245B, LYS253B, LYS28B, LYS54B, LYS7B, LYS7C, LYS83B, MET25B, PRO14C, PRO16C, PRO53B, SER15C, THR12C, THR30B, THR5C, TRP256B, TYR84B
• B-D: ALA244B, ALA50B, ASP243B, GLU138D, GLU139D, GLU46B, GLU49B, LEU47B, LYS142D, LYS245B, LYS83B, THR141D, VAL140D, VAL246B
• C-D: ALA258C, ARG111D, ARG191C, ARG261C, ARG262C, ASP221C, CYS263C, GLN266C, GLU71D, GLY227C, GLY264C, GLY72D, LEU260C, LYS75D, MET70D, SER225C, SER69D, THR226C, VAL224C