3DMO

1.6 a crystal structure of cytidine deaminase from burkholderia pseudomallei

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 62
  • Norm. En. per Res.: -3.5101
• 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	-62.1158	10.5098	-344.787	-396.393	122	12	18	13527	0	10	13
A-C	0.0	0.0	-99.4983	-99.4983	51	1	3	3559	0	0	1
A-D	-27.1423	-17.2924	-179.691	-224.1257	79	4	5	7111	1	10	8
B-C	-27.0499	-30.3675	-160.21	-217.6274	62	4	5	6295	2	10	8
B-D	0.0	0.0	-97.3309	-97.3309	50	0	4	3419	0	0	1
C-D	-60.8123	9.1506	-335.726	-387.3878	119	9	18	13186	0	10	13

Interface residues

• A-B: ALA126A, ALA12A, ALA12B, ALA130A, ALA13A, ALA13B, ALA17A, ALA17B, ALA19A, ALA19B, ALA28A, ALA28B, ALA46A, ALA46B, ALA54A, ALA54B, ALA58A, ALA58B, ALA62A, ALA62B, ALA64A, ALA64B, ALA65A, ALA65B, ALA90A, ALA90B, ARG14A, ARG14B, ARG56A, ARG56B, ARG68A, ARG68B, ARG92A, ARG92B, ASN42A, ASN42B, ASN45A, ASN45B, ASN52A, ASN52B, CYS41A, CYS41B, CYS51A, CYS51B, CYS53A, CYS53B, CYS88A, CYS88B, CYS91A, CYS91B, GLN93A, GLN93B, GLU15A, GLU15B, GLU44A, GLU44B, GLU97A, GLU97B, GLY40A, GLY40B, GLY49A, GLY49B, GLY66A, GLY66B, GLY89A, GLY89B, GLY99A, GLY99B, HIS39A, HIS39B, ILE96A, ILE96B, LEU123A, LEU123B, LEU129A, LEU50A, LEU50B, LEU59A, LEU59B, LEU63A, LEU63B, LEU98A, LEU98B, LYS100A, LYS100B, LYS16A, LYS16B, LYS25A, LYS36A, LYS36B, MET95A, MET95B, PHE127A, PHE127B, PHE38A, PHE38B, PHE60A, PHE60B, PHE72A, PRO20A, PRO20B, PRO69A, PRO69B, SER47A, SER47B, SER61A, SER61B, THR57A, THR57B, TYR128A, TYR18A, TYR18B, TYR21A, TYR21B, TYR48A, TYR48B, TYR67A, TYR67B, VAL43A, VAL43B, VAL94A, VAL94B
• A-C: ALA19A, ALA19C, ALA46A, ALA46C, ALA86C, ALA90A, ALA90C, ARG56A, ARG56C, ARG92A, ARG92C, ASN23A, ASN23C, ASN42A, ASN42C, ASN45A, ASN45C, ASN52A, ASN52C, CYS51A, CYS51C, CYS53A, CYS53C, CYS88A, CYS88C, CYS91A, CYS91C, GLN93A, GLU44A, GLU44C, GLY49A, GLY49C, GLY89A, GLY89C, LEU50A, LEU50C, PHE24A, PHE24C, PRO20A, PRO20C, PRO87A, PRO87C, SER22A, SER22C, SER47A, SER47C, TYR21A, TYR21C, TYR48A, TYR48C, VAL43A
• A-D: ALA126A, ALA126D, ALA130A, ALA130D, ALA86A, ALA86D, ALA90A, ALA90D, ARG115A, ARG115D, ARG56A, ARG56D, ARG92A, ARG92D, ASN23A, ASN23D, ASN42A, ASN42D, ASP121A, ASP121D, ASP125A, ASP125D, CYS53A, CYS53D, CYS88A, CYS88D, CYS91A, CYS91D, GLN93A, GLN93D, GLU44A, GLU44D, GLU55A, GLU55D, GLU80A, GLU80D, GLY120A, GLY120D, GLY79A, GLY79D, GLY83D, GLY89A, GLY89D, ILE85A, ILE85D, ILE96A, ILE96D, LEU107A, LEU107D, LEU122A, LEU122D, LEU123A, LEU123D, LEU129A, LEU129D, LEU50A, LEU50D, PHE127A, PHE127D, PHE24A, PHE24D, PRO124A, PRO124D, PRO84A, PRO84D, PRO87A, PRO87D, SER22A, SER22D, THR117A, THR117D, THR81A, THR81D, TYR128A, TYR128D, VAL26A, VAL26D, VAL94A, VAL94D
• B-C: ALA126B, ALA126C, ALA86B, ALA86C, ALA90B, ALA90C, ARG115B, ARG115C, ARG56B, ARG56C, ARG92B, ARG92C, ASP121B, ASP121C, ASP125B, ASP125C, CYS53B, CYS53C, CYS88B, CYS88C, CYS91B, CYS91C, GLN93B, GLN93C, GLY120B, GLY120C, GLY49B, GLY49C, GLY79B, GLY79C, GLY89B, GLY89C, ILE85B, ILE85C, ILE96B, ILE96C, LEU107B, LEU107C, LEU122B, LEU122C, LEU123B, LEU123C, LEU50B, LEU50C, PHE127B, PHE127C, PHE24B, PHE24C, PRO124B, PRO124C, PRO84B, PRO84C, PRO87B, PRO87C, THR117B, THR117C, THR81B, THR81C, VAL26B, VAL26C, VAL94B, VAL94C
• B-D: ALA19B, ALA19D, ALA46B, ALA46D, ALA86B, ALA90B, ALA90D, ARG56B, ARG56D, ARG92D, ASN23B, ASN23D, ASN42B, ASN42D, ASN45B, ASN45D, ASN52B, ASN52D, CYS51B, CYS51D, CYS53B, CYS53D, CYS88B, CYS88D, CYS91B, CYS91D, GLN93D, GLU44B, GLU44D, GLY49B, GLY49D, GLY89B, GLY89D, LEU50B, LEU50D, PHE24B, PHE24D, PRO20B, PRO20D, PRO87B, PRO87D, SER22B, SER22D, SER47B, SER47D, TYR21B, TYR21D, TYR48B, TYR48D, VAL43D
• C-D: ALA126D, ALA12C, ALA12D, ALA130D, ALA13C, ALA13D, ALA17C, ALA17D, ALA19C, ALA19D, ALA28C, ALA28D, ALA46C, ALA46D, ALA54C, ALA54D, ALA58C, ALA58D, ALA62C, ALA62D, ALA64C, ALA64D, ALA65C, ALA65D, ALA90C, ALA90D, ARG14C, ARG14D, ARG56C, ARG56D, ARG68C, ARG68D, ARG92C, ARG92D, ASN42C, ASN42D, ASN45C, ASN45D, ASN52C, ASN52D, CYS41C, CYS41D, CYS51C, CYS51D, CYS53C, CYS53D, CYS88D, CYS91C, CYS91D, GLN93C, GLN93D, GLU15C, GLU15D, GLU44C, GLU44D, GLU97C, GLU97D, GLY40C, GLY40D, GLY49C, GLY49D, GLY66C, GLY66D, GLY89C, GLY89D, GLY99C, GLY99D, HIS39C, HIS39D, ILE96C, ILE96D, LEU123C, LEU123D, LEU129D, LEU50C, LEU50D, LEU59C, LEU59D, LEU63C, LEU63D, LEU98C, LEU98D, LYS100C, LYS100D, LYS16C, LYS16D, LYS25D, MET95C, MET95D, PHE127C, PHE127D, PHE38C, PHE38D, PHE60C, PHE60D, PHE72D, PRO20C, PRO20D, PRO69C, PRO69D, SER47C, SER47D, SER61C, SER61D, THR57C, THR57D, TYR128D, TYR18C, TYR18D, TYR21C, TYR21D, TYR48C, TYR48D, TYR67C, TYR67D, VAL43C, VAL43D, VAL94C, VAL94D