1WN5

crystal structure of blasticidin s deaminase (bsd) complexed with cacodylic acid

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 112
  • Norm. En. per Res.: -3.2576
• 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	-39.3532	17.7828	-198.766	-220.3364	83	9	2	7490	0	10	9
A-C	-12.4651	4.8055	-85.738	-93.3976	35	3	2	2990	0	0	6
A-D	-33.8276	-19.7847	-311.234	-364.8464	112	4	22	13351	2	6	13
B-C	-39.853	-20.7092	-313.076	-373.6381	115	5	23	13435	2	6	11
B-D	-12.4592	4.7301	-85.9219	-93.651	36	0	2	3035	0	0	6
C-D	-42.2559	18.0396	-194.133	-218.3493	81	11	2	7381	0	10	9

Interface residues

• A-B: ALA76A, ALA76B, ARG119A, ARG119B, ARG82A, ARG82B, ARG90A, ARG90B, ARG92A, ARG92B, ASN45A, ASN45B, ASP108A, ASP108B, ASP97A, ASP97B, CYS54A, CYS54B, CYS88A, CYS88B, CYS91A, CYS91B, GLN93A, GLN93B, GLU120A, GLU120B, GLU56A, GLU56B, GLY125A, GLY125B, GLY51A, GLY51B, GLY78A, GLY78B, GLY89A, GLY89B, ILE118A, ILE118B, ILE84A, ILE84B, LEU121A, LEU121B, LEU122A, LEU122B, LEU57A, LEU57B, LEU85A, LEU85B, LEU95B, LEU96A, LEU96B, LYS107A, LYS107B, PHE49A, PHE49B, PRO123A, PRO123B, PRO87A, PRO87B, SER109A, SER109B, SER124A, SER124B, SER28A, SER28B, SER86A, SER86B, THR114A, THR114B, THR50A, THR50B, TYR126A, TYR126B, TYR47A, TYR47B, VAL106A, VAL106B, VAL116A, VAL116B, VAL29A, VAL29B, VAL94A, VAL94B
• A-C: ALA55A, ALA55C, ARG90A, ARG90C, ASN45A, ASN45C, CYS54A, CYS54C, CYS88A, CYS88C, CYS91A, CYS91C, GLY51A, GLY51C, GLY52A, GLY52C, GLY89A, GLY89C, HIS48A, HIS48C, LEU57A, LEU57C, PHE49A, PHE49C, PRO53A, PRO53C, PRO87A, PRO87C, SER86C, THR50A, THR50C, TYR47A, TYR47C, VAL46A, VAL46C
• A-D: ALA16D, ALA30A, ALA30D, ALA55A, ALA55D, ALA63A, ALA63D, ALA64A, ALA64D, ALA65A, ALA65D, ALA66A, ALA66D, ALA67A, ALA67D, ALA68A, ALA68D, ARG90A, ARG90D, ARG92A, ARG92D, ASN45A, ASN45D, ASN70A, ASN70D, ASP26A, ASP26D, ASP97A, ASP97D, CYS54A, CYS54D, CYS91A, CYS91D, GLN93A, GLN93D, GLU25A, GLU25D, GLU56A, GLU56D, GLY43A, GLY43D, GLY51A, GLY51D, GLY52A, GLY52D, GLY61A, GLY61D, GLY69A, GLY69D, GLY89A, GLY89D, HIS48A, HIS48D, HIS99A, HIS99D, ILE18A, ILE18D, ILE21A, ILE21D, LEU57A, LEU57D, LEU60A, LEU60D, LEU71A, LEU71D, LEU95A, LEU95D, LEU96A, LEU96D, LEU98A, LEU98D, PHE41D, PHE49A, PHE49D, PRO22A, PRO22D, PRO53A, PRO53D, SER20A, SER20D, SER24A, SER24D, SER28A, SER28D, SER31A, SER31D, THR17A, THR17D, THR42A, THR42D, THR50A, THR50D, THR62A, THR62D, TYR126A, TYR126D, TYR27A, TYR27D, TYR47A, TYR47D, VAL29A, VAL29D, VAL44A, VAL44D, VAL46A, VAL46D, VAL58A, VAL58D, VAL59A, VAL59D, VAL94A, VAL94D
• B-C: ALA16B, ALA16C, ALA30B, ALA30C, ALA55B, ALA55C, ALA63B, ALA63C, ALA64B, ALA64C, ALA65B, ALA65C, ALA66B, ALA66C, ALA67B, ALA67C, ALA68B, ALA68C, ARG39B, ARG39C, ARG90B, ARG90C, ARG92B, ARG92C, ASN45B, ASN45C, ASN70B, ASP26B, ASP26C, ASP97B, ASP97C, CYS54B, CYS54C, CYS91B, CYS91C, GLN93B, GLN93C, GLU25B, GLU25C, GLU56B, GLU56C, GLY43B, GLY43C, GLY51B, GLY51C, GLY52B, GLY52C, GLY61B, GLY61C, GLY69B, GLY69C, GLY89B, GLY89C, HIS48B, HIS48C, HIS99B, HIS99C, ILE18B, ILE18C, ILE21B, ILE21C, LEU122C, LEU57B, LEU57C, LEU60B, LEU60C, LEU71B, LEU71C, LEU95B, LEU95C, LEU96B, LEU96C, LEU98B, LEU98C, PHE41B, PHE49B, PHE49C, PRO22B, PRO22C, PRO53B, PRO53C, SER20B, SER20C, SER24B, SER24C, SER28B, SER28C, SER31B, SER31C, THR17B, THR17C, THR42B, THR42C, THR50B, THR50C, THR62B, THR62C, TYR126B, TYR126C, TYR27B, TYR27C, TYR47B, TYR47C, VAL29B, VAL29C, VAL44B, VAL44C, VAL46B, VAL46C, VAL58B, VAL58C, VAL59B, VAL59C, VAL94B, VAL94C
• B-D: ALA55B, ALA55D, ARG90B, ARG90D, ASN45B, ASN45D, CYS54B, CYS54D, CYS88B, CYS88D, CYS91B, CYS91D, GLY51B, GLY51D, GLY52B, GLY52D, GLY89B, GLY89D, HIS48B, HIS48D, LEU57B, LEU57D, PHE49B, PHE49D, PRO53B, PRO53D, PRO87B, PRO87D, SER86D, THR50B, THR50D, TYR47B, TYR47D, VAL29B, VAL46B, VAL46D
• C-D: ALA76C, ALA76D, ARG119C, ARG119D, ARG82C, ARG82D, ARG90C, ARG90D, ARG92C, ARG92D, ASN45C, ASN45D, ASP108C, ASP108D, ASP97C, ASP97D, CYS54C, CYS54D, CYS88C, CYS88D, CYS91C, CYS91D, GLN93C, GLN93D, GLU120C, GLU120D, GLU56C, GLU56D, GLY125C, GLY125D, GLY51C, GLY51D, GLY78C, GLY78D, GLY89C, GLY89D, ILE118C, ILE118D, ILE84C, ILE84D, LEU121C, LEU121D, LEU122C, LEU122D, LEU57C, LEU57D, LEU85C, LEU85D, LEU96C, LEU96D, LYS107C, LYS107D, PHE49C, PHE49D, PRO123C, PRO123D, PRO87C, PRO87D, SER109C, SER109D, SER124C, SER124D, SER28C, SER28D, SER86C, SER86D, THR114D, THR50C, THR50D, TYR126C, TYR126D, TYR47C, TYR47D, VAL106C, VAL106D, VAL116C, VAL116D, VAL29C, VAL29D, VAL94C, VAL94D