3MPZ

crystal structure of cytidine deaminase from mycobacterium smegmatis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 72
  • Norm. En. per Res.: -3.6728
• 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	0.0	0.0	-111.358	-111.358	52	1	3	4059	0	2	1
A-C	-33.2066	-45.3666	-185.865	-264.4383	72	6	2	7210	2	18	12
A-D	-38.9687	10.7343	-300.104	-328.3383	118	12	7	12070	0	13	13
B-C	-31.1319	11.0053	-307.026	-327.1526	120	8	7	12212	0	13	14
B-D	-34.3779	-6.6984	-174.173	-215.2492	65	4	2	6717	1	19	12
C-D	0.0	0.0	-111.373	-111.373	55	1	3	4059	0	2	2

Interface residues

• A-B: ALA19A, ALA19B, ARG88A, ARG88B, ARG90A, ARG90B, ASN42A, ASN42B, ASN45A, ASN45B, CYS53A, CYS53B, CYS56A, CYS56B, CYS86A, CYS86B, CYS89A, CYS89B, GLU44A, GLU44B, GLY23A, GLY23B, GLY49A, GLY49B, GLY51A, GLY51B, GLY87A, GLY87B, LEU50A, LEU50B, LEU52A, LEU52B, PHE24A, PHE24B, PRO20A, PRO20B, PRO85A, PRO85B, SER22A, SER22B, SER47A, SER47B, TYR21A, TYR21B, TYR48A, TYR48B, VAL43A, VAL43B, VAL46A, VAL46B, VAL92A, VAL92B
• A-C: ALA106C, ALA119A, ALA119C, ARG110A, ARG110C, ARG113A, ARG113C, ARG88A, ARG88C, ARG90A, ARG90C, ASN42A, ASN42C, ASP118A, ASP118C, ASP123C, CYS53A, CYS75A, CYS86A, CYS86C, CYS89A, CYS89C, GLN91A, GLN91C, GLU114A, GLU114C, GLU55A, GLU55C, GLY121A, GLY121C, GLY49A, GLY49C, GLY77A, GLY77C, GLY87A, GLY87C, HIS105A, HIS105C, HIS107A, HIS107C, LEU112A, LEU112C, LEU115A, LEU115C, LEU116A, LEU116C, LEU50A, LEU50C, LEU83A, LEU83C, LEU94A, LEU94C, MET84A, MET84C, PHE120A, PHE120C, PHE24A, PHE24C, PRO117A, PRO117C, PRO122A, PRO122C, PRO78A, PRO78C, PRO85A, PRO85C, SER22A, SER22C, VAL26A, VAL26C, VAL92A, VAL92C
• A-D: ALA119A, ALA119D, ALA17A, ALA17D, ALA19A, ALA19D, ALA28A, ALA28D, ALA54A, ALA54D, ALA57A, ALA57D, ALA61A, ALA61D, ARG15A, ARG15D, ARG36A, ARG36D, ARG69A, ARG69D, ARG88A, ARG88D, ARG90A, ARG90D, ASN42A, ASN42D, ASN45A, ASN45D, CYS41A, CYS41D, CYS53A, CYS53D, CYS56A, CYS56D, CYS60A, CYS60D, CYS86A, CYS89A, CYS89D, GLN91A, GLN91D, GLU12A, GLU12D, GLU44A, GLU44D, GLU55A, GLU55D, GLU95A, GLU95D, GLY121A, GLY27A, GLY27D, GLY40A, GLY40D, GLY49A, GLY49D, GLY51A, GLY51D, GLY65A, GLY65D, GLY66A, GLY66D, GLY67A, GLY67D, GLY68D, GLY87A, GLY87D, HIS16A, HIS16D, HIS63A, HIS63D, HIS96A, HIS96D, LEU116A, LEU116D, LEU50A, LEU50D, LEU52A, LEU52D, LEU62A, LEU62D, LEU93A, LEU93D, LEU94A, LEU94D, PHE120A, PHE120D, PRO122A, PRO20A, PRO20D, SER14A, SER14D, SER47A, SER47D, SER64A, SER64D, THR39A, THR39D, TYR18A, TYR18D, TYR21A, TYR21D, TYR48A, TYR48D, VAL13A, VAL13D, VAL38A, VAL38D, VAL43A, VAL43D, VAL46A, VAL46D, VAL58A, VAL58D, VAL59A, VAL59D, VAL92A, VAL92D
• B-C: ALA119B, ALA119C, ALA17B, ALA17C, ALA19B, ALA19C, ALA28B, ALA28C, ALA54B, ALA54C, ALA57B, ALA57C, ALA61B, ALA61C, ARG15B, ARG15C, ARG36B, ARG36C, ARG69B, ARG69C, ARG88B, ARG88C, ARG90B, ARG90C, ASN42B, ASN42C, ASN45B, ASN45C, ASP123C, CYS41B, CYS41C, CYS53B, CYS53C, CYS56B, CYS56C, CYS60B, CYS60C, CYS89B, CYS89C, GLN91B, GLN91C, GLU12B, GLU12C, GLU44B, GLU44C, GLU55B, GLU55C, GLU95B, GLU95C, GLY121B, GLY121C, GLY27B, GLY27C, GLY40B, GLY40C, GLY49B, GLY49C, GLY51B, GLY51C, GLY65B, GLY65C, GLY66B, GLY66C, GLY67B, GLY67C, GLY68B, GLY68C, GLY87B, GLY87C, HIS16B, HIS16C, HIS63B, HIS63C, HIS96B, HIS96C, LEU116B, LEU116C, LEU50B, LEU50C, LEU52B, LEU52C, LEU62B, LEU62C, LEU93B, LEU93C, LEU94B, LEU94C, PHE120B, PHE120C, PRO122C, PRO20B, PRO20C, SER14B, SER14C, SER47B, SER47C, SER64B, SER64C, THR39B, THR39C, TYR18B, TYR18C, TYR21B, TYR21C, TYR48B, TYR48C, VAL13B, VAL13C, VAL38B, VAL38C, VAL43B, VAL43C, VAL46B, VAL46C, VAL58B, VAL58C, VAL59B, VAL59C, VAL92B, VAL92C
• B-D: ALA119B, ALA119D, ARG110B, ARG110D, ARG113B, ARG113D, ARG88B, ARG88D, ARG90B, ARG90D, ASN42B, ASN42D, ASP118B, ASP118D, CYS53B, CYS53D, CYS75B, CYS75D, CYS86B, CYS86D, CYS89B, CYS89D, GLN91B, GLN91D, GLU114B, GLU114D, GLU55B, GLU55D, GLY121B, GLY49B, GLY49D, GLY77B, GLY87B, GLY87D, HIS105B, HIS105D, HIS107D, LEU112B, LEU112D, LEU115B, LEU115D, LEU116B, LEU116D, LEU50B, LEU50D, LEU83B, LEU83D, LEU94B, LEU94D, MET84B, MET84D, PHE120B, PHE120D, PHE24B, PHE24D, PRO117B, PRO117D, PRO78B, PRO85B, PRO85D, SER22D, VAL26B, VAL26D, VAL92B, VAL92D
• C-D: ALA19C, ALA19D, ARG88C, ARG88D, ARG90C, ARG90D, ASN42C, ASN42D, ASN45C, ASN45D, CYS53C, CYS53D, CYS56C, CYS56D, CYS86C, CYS86D, CYS89C, CYS89D, GLU44C, GLU44D, GLU55C, GLU55D, GLY23C, GLY23D, GLY49C, GLY49D, GLY51C, GLY51D, GLY87C, GLY87D, LEU50C, LEU50D, LEU52C, LEU52D, PHE24C, PHE24D, PRO20C, PRO20D, PRO85C, PRO85D, SER22C, SER22D, SER47C, SER47D, TYR21C, TYR21D, TYR48C, TYR48D, VAL26C, VAL43C, VAL43D, VAL46C, VAL46D, VAL92C, VAL92D