3OJ6

crystal structure of blasticidin s deaminase from coccidioides immitis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 126
  • Norm. En. per Res.: -3.5037
• 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	-49.3041	9.477	-311.237	-351.064	114	7	4	11459	1	19	19
A-C	-5.3002	5.0761	-90.7461	-90.9702	46	3	2	3047	0	0	5
A-D	-26.1111	-2.9985	-401.196	-430.3056	136	8	30	16473	2	14	19
B-C	-30.2749	-27.1514	-384.038	-441.4643	126	6	26	15289	2	10	14
B-D	-28.0161	-18.7569	-131.542	-178.315	58	4	2	4062	1	9	14
C-D	-43.9407	-12.6307	-291.337	-347.9084	108	8	4	10885	3	16	14

Interface residues

• A-B: ALA107A, ALA107B, ALA129A, ALA129B, ALA58B, ALA79A, ALA79B, ALA81A, ALA81B, ALA99A, ALA99B, ARG136A, ARG136B, ARG85A, ARG85B, ARG93A, ARG93B, ARG95A, ARG95B, ASN48A, ASN48B, ASN53A, ASN53B, ASN82B, ASP100A, ASP100B, ASP131A, ASP131B, ASP133B, ASP135A, ASP135B, ASP28A, ASP28B, CYS57A, CYS57B, CYS91A, CYS91B, CYS94A, CYS94B, GLN96A, GLN96B, GLU121A, GLU121B, GLU122A, GLU122B, GLU59A, GLU59B, GLU83B, GLY111A, GLY111B, GLY54A, GLY54B, GLY55B, GLY92A, GLY92B, HIS51A, HIS51B, ILE108A, ILE108B, ILE110A, ILE110B, ILE127A, ILE127B, ILE137A, ILE87A, ILE87B, LEU123A, LEU123B, LEU124A, LEU124B, LEU60A, LEU60B, LEU88A, LEU88B, LYS116A, LYS116B, LYS132A, PHE29A, PHE29B, PHE52A, PHE52B, PRO125A, PRO125B, PRO3B, PRO56B, PRO90A, PRO90B, SER126A, SER126B, SER27A, SER27B, SER31A, SER31B, SER89A, SER89B, TRP130A, TRP130B, TYR128A, TYR128B, TYR134A, TYR30B, TYR50A, TYR50B, VAL109A, VAL109B, VAL118A, VAL118B, VAL120A, VAL120B, VAL32A, VAL32B, VAL49B, VAL97A, VAL97B
• A-C: ALA58A, ALA58C, ARG136A, ARG93A, ARG93C, ARG95A, ARG95C, ASN48A, ASN48C, ASN53A, ASN53C, ASP131C, ASP135A, CYS57A, CYS57C, CYS91A, CYS91C, CYS94A, CYS94C, GLN96A, GLN96C, GLY54A, GLY54C, GLY55A, GLY55C, GLY92A, GLY92C, HIS51A, HIS51C, LEU60A, LEU60C, PHE29A, PHE52A, PHE52C, PRO56A, PRO56C, PRO90A, PRO90C, TRP130A, TRP130C, TYR50A, TYR50C, VAL32A, VAL32C, VAL49A, VAL49C
• A-D: ALA129A, ALA129D, ALA33A, ALA33D, ALA58A, ALA58D, ALA66A, ALA66D, ALA67A, ALA67D, ALA68A, ALA68D, ALA69A, ALA69D, ALA71A, ALA71D, ALA99A, ALA99D, ARG136A, ARG136D, ARG42A, ARG42D, ARG93A, ARG93D, ARG95A, ARG95D, ASN48A, ASN48D, ASN53A, ASN53D, ASP100A, ASP100D, ASP131A, ASP131D, ASP133A, ASP133D, ASP135A, ASP135D, ASP28A, ASP28D, CYS57A, CYS57D, CYS94A, CYS94D, GLN96A, GLN96D, GLU59A, GLU59D, GLY23A, GLY23D, GLY46A, GLY46D, GLY54A, GLY54D, GLY55A, GLY55D, GLY64A, GLY64D, GLY70A, GLY70D, GLY92A, GLY92D, HIS102A, HIS102D, HIS51A, HIS51D, ILE137A, ILE137D, ILE21A, ILE21D, ILE24A, ILE24D, LEU101A, LEU101D, LEU124A, LEU124D, LEU60A, LEU60D, LEU63A, LEU63D, LEU74A, LEU74D, LEU98A, LEU98D, LYS132A, LYS132D, LYS73A, PHE29A, PHE29D, PHE44A, PHE52A, PHE52D, PRO103A, PRO103D, PRO25A, PRO25D, PRO56A, PRO56D, SER19A, SER19D, SER27A, SER27D, SER31A, SER31D, SER34A, SER34D, SER45A, SER45D, THR72A, THR72D, TRP130A, TRP130D, TYR128A, TYR128D, TYR134A, TYR134D, TYR30A, TYR30D, TYR50A, TYR50D, VAL20A, VAL20D, VAL32A, VAL32D, VAL47A, VAL47D, VAL49A, VAL49D, VAL61A, VAL61D, VAL62A, VAL62D, VAL65A, VAL65D, VAL97A, VAL97D
• B-C: ALA129B, ALA129C, ALA17B, ALA17C, ALA33B, ALA33C, ALA58B, ALA58C, ALA66B, ALA66C, ALA67B, ALA67C, ALA68B, ALA68C, ALA69B, ALA69C, ALA71B, ALA71C, ALA99B, ALA99C, ARG136B, ARG42B, ARG93B, ARG93C, ARG95B, ARG95C, ASN48B, ASN48C, ASN53B, ASN53C, ASP100B, ASP100C, ASP131B, ASP131C, ASP28B, ASP28C, CYS57B, CYS57C, CYS94B, CYS94C, GLN96B, GLN96C, GLU59B, GLU59C, GLY23B, GLY23C, GLY46B, GLY46C, GLY54B, GLY54C, GLY55B, GLY55C, GLY64B, GLY64C, GLY70B, GLY70C, GLY92B, GLY92C, HIS102B, HIS102C, HIS51B, HIS51C, ILE21B, ILE21C, ILE24B, ILE24C, LEU101B, LEU101C, LEU124B, LEU124C, LEU60B, LEU60C, LEU63B, LEU63C, LEU74C, LEU98B, LEU98C, PHE29B, PHE29C, PHE44B, PHE44C, PHE52B, PHE52C, PRO103B, PRO25B, PRO25C, PRO56B, PRO56C, SER19B, SER19C, SER27B, SER27C, SER31B, SER31C, SER34B, SER34C, SER45B, SER45C, THR72B, THR72C, TRP130B, TRP130C, TYR128B, TYR128C, TYR134B, TYR30B, TYR30C, TYR50B, TYR50C, VAL20B, VAL20C, VAL26C, VAL32B, VAL32C, VAL47B, VAL47C, VAL49B, VAL49C, VAL61B, VAL61C, VAL62B, VAL62C, VAL65B, VAL65C, VAL97B, VAL97C
• B-D: ALA58B, ALA58D, ARG136B, ARG136D, ARG93B, ARG93D, ARG95B, ARG95D, ASN48B, ASN48D, ASN53B, ASN53D, ASP131B, ASP131D, ASP133B, ASP133D, ASP135B, ASP135D, CYS57B, CYS57D, CYS91B, CYS91D, CYS94B, CYS94D, GLN96B, GLN96D, GLU59D, GLY54B, GLY54D, GLY55B, GLY55D, GLY92B, GLY92D, HIS51B, HIS51D, LEU101D, LEU60B, LEU60D, LEU88D, LYS132D, PHE29D, PHE52B, PHE52D, PRO56B, PRO56D, PRO90B, PRO90D, SER89D, TRP130B, TRP130D, TYR134B, TYR134D, TYR50B, TYR50D, VAL32B, VAL32D, VAL49B, VAL49D
• C-D: ALA107C, ALA107D, ALA119D, ALA129C, ALA129D, ALA58C, ALA79C, ALA79D, ALA81C, ALA81D, ALA99C, ALA99D, ARG136D, ARG85C, ARG85D, ARG93C, ARG93D, ARG95C, ARG95D, ASN48C, ASN53C, ASN53D, ASN82C, ASP100C, ASP100D, ASP131C, ASP131D, ASP135D, ASP28C, CYS57C, CYS57D, CYS91C, CYS91D, CYS94C, CYS94D, GLN96C, GLN96D, GLU121C, GLU121D, GLU122C, GLU122D, GLU59C, GLU59D, GLU83C, GLY111C, GLY111D, GLY54C, GLY54D, GLY55C, GLY92C, GLY92D, HIS51C, ILE108C, ILE108D, ILE110C, ILE110D, ILE127C, ILE127D, ILE137D, ILE87C, ILE87D, LEU123C, LEU123D, LEU124C, LEU124D, LEU60C, LEU60D, LEU88C, LEU88D, LYS112C, LYS116C, LYS116D, LYS132D, PHE29C, PHE52C, PHE52D, PRO125C, PRO125D, PRO56C, PRO90C, PRO90D, SER126C, SER126D, SER27C, SER31C, SER31D, SER89C, SER89D, TRP130C, TRP130D, TYR128C, TYR128D, TYR134D, TYR30C, TYR50C, TYR50D, VAL109C, VAL109D, VAL118C, VAL118D, VAL120C, VAL120D, VAL26C, VAL32C, VAL32D, VAL49C, VAL97C, VAL97D