3B8F

crystal structure of the cytidine deaminase from bacillus anthracis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 120
  • Norm. En. per Res.: -3.4795
• 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	-41.8443	19.5113	-274.865	-297.198	99	7	7	10941	0	24	26
A-C	0.0	6.2659	-48.7474	-42.4815	34	1	1	2159	0	0	3
A-D	-52.7317	-2.3814	-360.505	-415.6181	121	7	7	14748	0	28	20
B-C	-54.8294	-0.6138	-362.102	-417.5452	120	8	7	14745	2	29	20
B-D	0.0	1.175	-55.7727	-54.5977	37	3	1	2310	0	0	3
C-D	-34.8764	0.2833	-264.685	-299.2781	96	8	7	10781	0	26	26

Interface residues

• A-B: ALA106A, ALA106B, ALA110A, ALA110B, ALA130A, ALA130B, ALA75A, ALA75B, ARG76A, ARG76B, ARG95A, ARG95B, ASN109A, ASN109B, ASP133A, CYS105A, CYS105B, CYS52A, CYS52B, CYS73A, CYS73B, CYS89A, CYS89B, CYS92A, CYS92B, GLN112A, GLN112B, GLN123A, GLN123B, GLN93A, GLN93B, GLU121A, GLU121B, GLU129A, GLU129B, GLU134A, GLU134B, GLU77A, GLU77B, GLU82B, GLU94A, GLU94B, GLY24A, GLY24B, GLY90A, GLY90B, HIS126A, HIS126B, HIS132A, HIS132B, ILE107A, ILE107B, ILE115A, ILE115B, LEU119A, LEU119B, LEU122A, LEU122B, LEU74B, LEU83B, LEU86A, LEU86B, LYS111A, LYS111B, LYS117A, LYS117B, LYS120A, LYS120B, LYS84A, LYS84B, MET53A, MET53B, PHE97A, PHE97B, PRO118A, PRO118B, PRO124A, PRO124B, PRO88A, PRO88B, SER48B, SER87A, SER87B, THR108A, THR108B, THR128A, THR128B, TRP127A, TRP127B, TRP23A, TRP23B, TYR125A, TYR125B, TYR131A, TYR131B, VAL85A, VAL85B, VAL91A, VAL91B
• A-C: ALA41A, ALA41C, ALA47A, ALA47C, ARG95A, ARG95C, ASN46A, ASN46C, CYS52A, CYS52C, CYS89A, CYS89C, CYS92A, CYS92C, GLU50A, GLU50C, GLY90A, GLY90C, LEU51A, LEU51C, MET53A, MET53C, PRO42A, PRO88A, SER48A, SER48C, THR49A, THR49C, THR55A, THR55C, VAL44A, VAL44C, VAL91A, VAL91C
• A-D: ALA26A, ALA26D, ALA27A, ALA27D, ALA28A, ALA28D, ALA41A, ALA41D, ALA47A, ALA47D, ALA57A, ALA57D, ALA61A, ALA61D, ARG142A, ARG142D, ARG18A, ARG18D, ARG95A, ARG95D, ASN46A, ASN46D, ASP43A, ASP43D, CYS52A, CYS52D, CYS92A, CYS92D, GLN17A, GLN17D, GLN65A, GLN65D, GLN93A, GLN93D, GLU138A, GLU138D, GLU50A, GLU50D, GLU54A, GLU54D, GLU60A, GLU60D, GLU94A, GLU94D, GLY100A, GLY100D, GLY56A, GLY56D, GLY90A, GLY90D, HIS126A, HIS126D, HIS62A, HIS62D, ILE36A, ILE36D, ILE45A, ILE45D, ILE58A, ILE58D, LEU119A, LEU119D, LEU14A, LEU14D, LEU51A, LEU51D, LEU59A, LEU59D, LEU96A, LEU96D, LYS63A, LYS63D, LYS66A, LYS66D, MET135A, MET135D, MET53A, MET53D, PHE64A, PHE64D, PHE97A, PHE97D, PRO101A, PRO101D, PRO20A, PRO20D, PRO42A, PRO42D, SER39A, SER39D, SER48A, SER48D, THR128A, THR128D, THR38A, THR38D, THR49A, THR49D, THR55A, THR55D, TRP127A, TRP127D, TRP139A, TRP139D, TRP99A, TRP99D, TYR131A, TYR19A, TYR19D, TYR37A, TYR37D, TYR98A, TYR98D, VAL10A, VAL10D, VAL40A, VAL40D, VAL44A, VAL44D, VAL91A, VAL91D
• B-C: ALA26B, ALA26C, ALA27B, ALA27C, ALA28B, ALA28C, ALA41B, ALA41C, ALA47B, ALA47C, ALA57B, ALA57C, ALA61B, ALA61C, ARG142B, ARG18B, ARG18C, ARG95B, ARG95C, ASN46B, ASN46C, ASP43B, ASP43C, CYS52B, CYS52C, CYS92B, CYS92C, GLN123B, GLN17B, GLN17C, GLN65B, GLN65C, GLN93B, GLN93C, GLU138B, GLU138C, GLU50B, GLU50C, GLU54B, GLU54C, GLU60B, GLU60C, GLU94B, GLU94C, GLY100B, GLY100C, GLY56B, GLY56C, GLY90B, GLY90C, HIS126B, HIS126C, HIS62B, HIS62C, ILE36B, ILE36C, ILE45B, ILE45C, ILE58B, ILE58C, LEU119B, LEU119C, LEU14B, LEU14C, LEU51B, LEU51C, LEU59B, LEU59C, LEU96B, LEU96C, LYS63B, LYS63C, LYS66B, LYS66C, MET135B, MET135C, MET53B, MET53C, PHE64B, PHE64C, PHE97B, PHE97C, PRO101B, PRO101C, PRO20B, PRO20C, PRO42B, PRO42C, SER39B, SER39C, SER48B, SER48C, THR128B, THR128C, THR38B, THR38C, THR49B, THR49C, THR55B, THR55C, TRP127B, TRP127C, TRP139B, TRP139C, TRP99B, TRP99C, TYR131B, TYR131C, TYR19B, TYR19C, TYR37B, TYR37C, TYR98B, TYR98C, VAL40B, VAL40C, VAL44B, VAL44C, VAL91B, VAL91C
• B-D: ALA41B, ALA41D, ALA47B, ALA47D, ARG95B, ARG95D, ASN46B, ASN46D, CYS52B, CYS52D, CYS89B, CYS89D, CYS92B, CYS92D, GLU50B, GLU50D, GLY90B, GLY90D, LEU51B, LEU51D, MET53B, MET53D, PRO42B, PRO42D, PRO88B, PRO88D, SER48B, SER48D, SER87D, THR49B, THR49D, THR55B, THR55D, VAL44B, VAL44D, VAL91B, VAL91D
• C-D: ALA106C, ALA106D, ALA110C, ALA110D, ALA130C, ALA130D, ALA75C, ALA75D, ARG76C, ARG76D, ARG95C, ARG95D, ASN109C, ASN109D, ASP133C, CYS105C, CYS105D, CYS52C, CYS52D, CYS73C, CYS73D, CYS89C, CYS89D, CYS92C, CYS92D, GLN112C, GLN112D, GLN123C, GLN123D, GLN93C, GLN93D, GLU121C, GLU121D, GLU129C, GLU129D, GLU134D, GLU77C, GLU77D, GLU82C, GLU94C, GLU94D, GLY24D, GLY25C, GLY25D, GLY90C, GLY90D, HIS126C, HIS126D, HIS132C, HIS132D, ILE107C, ILE107D, ILE115C, ILE115D, LEU119C, LEU119D, LEU122C, LEU122D, LEU74C, LEU74D, LEU86C, LEU86D, LYS117C, LYS117D, LYS120C, LYS120D, LYS84C, LYS84D, MET53C, MET53D, PHE97C, PHE97D, PRO118C, PRO118D, PRO124C, PRO124D, PRO88C, PRO88D, SER87C, SER87D, THR108C, THR108D, THR128C, THR128D, TRP127C, TRP127D, TRP23C, TRP23D, TYR125C, TYR125D, TYR131C, TYR131D, VAL85C, VAL85D, VAL91C, VAL91D