3R2N

crystal structure of cytidine deaminase from mycobacterium leprae

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 48
  • Norm. En. per Res.: -2.8731
• 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	-106.622	-106.622	51	2	4	4033	0	2	1
A-C	-19.791	10.2464	-128.366	-137.9106	48	3	0	4996	0	7	4
A-D	-36.6638	7.4213	-251.906	-281.1485	103	19	17	10838	0	4	3
B-C	-31.6426	7.8206	-257.013	-280.8349	101	11	15	10669	0	4	3
B-D	-18.6133	9.8389	-129.785	-138.5594	49	3	0	5097	0	7	4
C-D	0.0	0.0	-113.478	-113.478	49	1	4	4049	0	2	1

Interface residues

• A-B: ALA22A, ALA22B, ALA49A, ALA49B, ALA54A, ALA54B, ARG91A, ARG91B, ARG93A, ARG93B, ASN26A, ASN26B, ASN45A, ASN45B, ASN48A, ASN48B, CYS56A, CYS56B, CYS59A, CYS59B, CYS89A, CYS89B, CYS92A, CYS92B, GLU47A, GLU47B, GLU58A, GLY52A, GLY52B, GLY90A, GLY90B, LEU53A, LEU53B, LEU55A, LEU55B, LEU95A, PHE27A, PHE27B, PRO23A, PRO23B, PRO88A, PRO88B, SER25A, SER25B, SER50A, SER50B, TYR24A, TYR24B, TYR51A, TYR51B, VAL46B
• A-C: ALA116A, ALA116C, ARG91A, ARG91C, ARG93A, ARG93C, CYS89A, CYS89C, CYS92A, CYS92C, GLN113A, GLN113C, GLN117A, GLN117C, GLN121A, GLN121C, GLN94A, GLN94C, GLY52A, GLY52C, GLY90A, GLY90C, LEU118A, LEU118C, LEU119A, LEU119C, LEU53A, LEU53C, LEU95A, LEU95C, LYS110A, LYS110C, MET115A, MET115C, MET87A, MET87C, PRO109A, PRO109C, PRO120A, PRO120C, PRO88A, PRO88C, THR108A, THR108C, THR114A, THR114C, TYR97A, TYR97C
• A-D: ALA16A, ALA16D, ALA18A, ALA18D, ALA22A, ALA22D, ALA49A, ALA49D, ALA54A, ALA54D, ALA57A, ALA57D, ALA64A, ALA64D, ALA67A, ALA67D, ARG39A, ARG39D, ARG72A, ARG72D, ARG91A, ARG91D, ARG93A, ARG93D, ASN19A, ASN19D, ASN45A, ASN45D, ASN48A, ASN48D, CYS56A, CYS56D, CYS59A, CYS59D, CYS89A, CYS89D, CYS92A, CYS92D, GLN94A, GLN94D, GLU47A, GLU47D, GLU58A, GLU58D, GLU98A, GLU98D, GLY43A, GLY43D, GLY52A, GLY52D, GLY69A, GLY69D, GLY70A, GLY70D, GLY71A, GLY71D, GLY90A, GLY90D, HIS99A, HIS99D, ILE62A, ILE62D, LEU119A, LEU119D, LEU53A, LEU53D, LEU55A, LEU55D, LEU65A, LEU65D, LEU95A, LEU95D, LEU96A, LEU96D, MET61A, MET61D, PRO23A, PRO23D, SER20A, SER20D, SER50A, SER50D, SER60A, SER60D, SER63A, SER63D, THR42A, THR42D, THR68A, THR68D, TYR21A, TYR21D, TYR24A, TYR24D, TYR51D, TYR66A, TYR66D, TYR97A, TYR97D, VAL44A, VAL44D, VAL46A, VAL46D
• B-C: ALA16B, ALA16C, ALA18B, ALA18C, ALA22C, ALA49B, ALA49C, ALA54B, ALA54C, ALA57B, ALA57C, ALA64B, ALA64C, ALA67B, ALA67C, ARG39B, ARG39C, ARG72B, ARG72C, ARG91B, ARG91C, ARG93B, ARG93C, ASN19B, ASN19C, ASN45B, ASN45C, ASN48B, ASN48C, CYS56B, CYS56C, CYS59B, CYS59C, CYS92B, CYS92C, GLN94B, GLN94C, GLU47B, GLU47C, GLU58B, GLU58C, GLU98B, GLU98C, GLY43B, GLY43C, GLY52B, GLY52C, GLY69B, GLY69C, GLY70B, GLY70C, GLY71B, GLY71C, GLY90B, GLY90C, HIS99B, HIS99C, ILE62B, ILE62C, LEU119B, LEU119C, LEU53B, LEU53C, LEU55B, LEU55C, LEU65B, LEU65C, LEU95B, LEU95C, LEU96B, LEU96C, MET61B, MET61C, PRO23B, PRO23C, SER20B, SER20C, SER50B, SER50C, SER60B, SER60C, SER63B, SER63C, THR42B, THR42C, THR68B, THR68C, TYR21B, TYR21C, TYR24B, TYR24C, TYR51B, TYR51C, TYR66B, TYR66C, TYR97B, TYR97C, VAL44B, VAL44C, VAL46B, VAL46C
• B-D: ALA116B, ALA116D, ARG91B, ARG91D, ARG93B, ARG93D, CYS89B, CYS89D, CYS92B, CYS92D, GLN113B, GLN113D, GLN117B, GLN117D, GLN121B, GLN121D, GLN94B, GLN94D, GLY52B, GLY52D, GLY90B, GLY90D, LEU118B, LEU118D, LEU119B, LEU119D, LEU53B, LEU53D, LEU95B, LEU95D, LEU96B, LYS110B, LYS110D, MET115B, MET115D, MET87B, MET87D, PRO109B, PRO109D, PRO120B, PRO120D, PRO88B, PRO88D, THR108B, THR108D, THR114B, THR114D, TYR97B, TYR97D
• C-D: ALA22C, ALA22D, ALA49C, ALA49D, ALA54C, ALA54D, ARG91C, ARG91D, ARG93C, ARG93D, ASN26C, ASN26D, ASN45C, ASN45D, ASN48C, ASN48D, CYS56C, CYS56D, CYS59C, CYS59D, CYS89C, CYS89D, CYS92C, CYS92D, GLU47C, GLU47D, GLY52C, GLY52D, GLY90C, GLY90D, LEU53C, LEU53D, LEU55C, LEU55D, LEU95D, PHE27C, PHE27D, PRO23C, PRO23D, PRO88C, PRO88D, SER25C, SER25D, SER50C, SER50D, TYR24C, TYR24D, TYR51C, TYR51D