3OUG

crystal structure of cleaved l-aspartate-alpha-decarboxylase from francisella tularensis

• Total interactions analyzed: 28
• Total true interactions: 24
• Strongest Interaction:
  • Chains: C-I
  • Int. Res.: 44
  • Norm. En. per Res.: -5.8772
• Hub Node: A(6)

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	-72.7782	17.3156	-251.468	-306.9306	91	12	3	10535	0	24	17
A-C	-67.6684	18.0592	-257.251	-306.8603	90	12	3	10646	0	24	17
A-E	0.0	0.0	-0.4101	-0.4101	6	0	0	74	0	2	2
A-F	-32.2784	-142.2689	-83.3713	-257.9186	44	4	0	3223	12	17	16
A-H	0.0	0.0	-26.3624	-26.3624	18	0	0	753	0	2	8
A-I	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	0	1
B-C	0.0	0.0	-0.2129	-0.2129	5	0	0	38	0	2	2
B-E	-85.5458	17.3122	-245.389	-313.6225	88	17	2	10337	0	24	17
B-F	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	0	1
B-G	0.0	0.0	-26.7428	-26.7428	18	0	0	763	0	2	8
B-H	-31.8034	-144.8893	-84.9099	-261.6026	45	4	0	3283	12	18	17
C-E	-54.4162	18.5958	-254.817	-290.6373	91	14	3	10651	0	24	17
C-F	0.0	0.0	-26.3862	-26.3862	18	0	0	726	0	2	8
C-G	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	0	1
C-I	-32.1145	-142.6639	-83.8183	-258.5967	44	5	0	3228	12	18	17
E-G	-31.9629	-144.0263	-87.3617	-263.3509	45	4	0	3383	12	17	17
E-H	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	0	1
E-I	0.0	0.0	-26.5052	-26.5052	18	0	0	789	0	2	8
F-G	-6.4378	0.0	-6.0969	-12.5347	8	0	0	172	0	2	2
F-H	-68.2727	17.7483	-258.368	-308.8924	91	18	2	11039	0	23	18
F-I	-73.7847	17.7342	-263.711	-319.7615	91	15	2	11036	0	23	18
G-H	-74.2933	17.859	-256.64	-313.0743	92	15	2	10626	0	23	18
G-I	-59.1194	17.5796	-258.349	-299.8888	91	15	2	10994	0	24	18
H-I	0.0	0.0	-0.1167	-0.1167	8	0	0	37	0	2	2

Interface residues

• A-B: ALA75B, ALA76B, ARG54A, ARG54B, ARG77B, ARG78A, ARG78B, ARG97A, ARG97B, ASN37B, ASN41B, ASN48A, ASN50A, ASN51A, ASN72B, ASN99A, ASP106A, ASP19B, ASP94A, ASP94B, GLN45A, GLN84A, GLN92A, GLN92B, GLU40B, GLU42B, GLU53A, GLU53B, GLU56A, GLU56B, GLU98A, GLY52A, GLY73B, ILE100A, ILE100B, ILE26B, ILE38B, ILE39B, ILE3A, ILE3B, ILE60B, ILE88A, LEU104A, LEU20B, LEU2A, LEU2B, LEU49A, LEU55A, LEU55B, LEU6A, LEU71B, LEU85A, LYS101A, LYS108A, LYS43A, LYS43B, LYS61B, LYS7A, LYS7B, LYS9A, PHE21B, PHE86A, PRO102A, PRO74B, PRO95A, SER11A, SER25B, SER4A, SER4B, SER89A, SER89B, SER8A, THR57B, THR91A, THR91B, THR96A, TYR12A, TYR22B, TYR58B, TYR90A, TYR90B, VAL23B, VAL44B, VAL46A, VAL46B, VAL47A, VAL59B, VAL5A, VAL5B, VAL93A, VAL93B
• A-C: ALA75A, ALA76A, ARG54A, ARG54C, ARG77A, ARG78A, ARG78C, ARG97C, ASN37A, ASN41A, ASN48C, ASN50C, ASN51C, ASN72A, ASN99C, ASP106C, ASP19A, ASP94A, ASP94C, GLN45C, GLN84C, GLN92A, GLN92C, GLU40A, GLU42A, GLU53A, GLU53C, GLU56A, GLU56C, GLY52C, GLY73A, ILE100A, ILE100C, ILE26A, ILE38A, ILE39A, ILE3A, ILE3C, ILE60A, ILE88C, LEU104C, LEU20A, LEU2A, LEU2C, LEU49C, LEU55A, LEU55C, LEU6C, LEU71A, LEU85C, LYS101C, LYS108C, LYS43A, LYS43C, LYS61A, LYS7A, LYS7C, LYS9C, PHE21A, PHE86C, PRO102C, PRO74A, PRO95C, SER11C, SER25A, SER4A, SER4C, SER89A, SER89C, SER8A, SER8C, THR57A, THR91A, THR91C, THR96C, TYR12C, TYR22A, TYR58A, TYR90A, TYR90C, VAL23A, VAL44A, VAL46A, VAL46C, VAL47C, VAL59A, VAL5A, VAL5C, VAL93A, VAL93C
• A-E: GLN92A, GLN92E, LEU2A, LEU2E, LYS43E, SER4A
• A-F: ALA75A, ALA75F, ALA76A, ALA76F, ARG77A, ARG77F, ARG78A, ARG78F, ASN48A, ASN48F, ASN50A, ASN50F, ASN51A, ASN51F, ASP83A, ASP83F, CYS79A, CYS79F, GLN84A, GLN84F, GLU53A, GLU53F, GLU80A, GLU80F, GLY52A, GLY52F, GLY73A, GLY73F, GLY82A, GLY82F, ILE81A, ILE81F, LEU20A, LEU20F, LEU49A, LEU49F, LYS18A, LYS18F, PHE21A, PHE21F, PRO74A, PRO74F, VAL15A, VAL15F
• A-H: ASN48A, ASN48H, ASN50A, ASN50H, ASN51A, ASN51H, ASP83A, ASP83H, CYS79A, CYS79H, GLU53A, GLU53H, GLU80A, GLU80H, GLY52A, GLY52H, LEU49A, LEU49H
• A-I: ARG77A, ARG77I
• B-C: GLN92B, GLN92C, LEU2B, LEU2C, LYS43B
• B-E: ALA75E, ALA76E, ARG54B, ARG54E, ARG77E, ARG78B, ARG78E, ARG97B, ASN37E, ASN41E, ASN48B, ASN50B, ASN51B, ASN72E, ASN99B, ASP106B, ASP19E, ASP94B, ASP94E, GLN45B, GLN84B, GLN92B, GLN92E, GLU40E, GLU42E, GLU53B, GLU53E, GLU56B, GLU56E, GLY52B, GLY73E, ILE100B, ILE100E, ILE26E, ILE38E, ILE39E, ILE3B, ILE3E, ILE60E, ILE88B, LEU104B, LEU20E, LEU2B, LEU2E, LEU49B, LEU55B, LEU55E, LEU6B, LEU71E, LEU85B, LYS101B, LYS108B, LYS43B, LYS43E, LYS7B, LYS7E, LYS9B, PHE21E, PHE86B, PRO102B, PRO74E, PRO95B, SER11B, SER25E, SER4B, SER4E, SER89B, SER89E, SER8B, SER8E, THR57E, THR91B, THR91E, THR96B, TYR12B, TYR22E, TYR58E, TYR90B, TYR90E, VAL44E, VAL46B, VAL46E, VAL47B, VAL59E, VAL5B, VAL5E, VAL93B, VAL93E
• B-F: ARG77B, ARG77F
• B-G: ASN48B, ASN48G, ASN50B, ASN50G, ASN51B, ASN51G, ASP83B, ASP83G, CYS79B, CYS79G, GLU53B, GLU53G, GLU80B, GLU80G, GLY52B, GLY52G, LEU49B, LEU49G
• B-H: ALA75B, ALA75H, ALA76B, ALA76H, ARG77B, ARG77H, ARG78B, ARG78H, ASN48B, ASN48H, ASN50B, ASN50H, ASN51B, ASN51H, ASP19B, ASP83B, ASP83H, CYS79B, CYS79H, GLN84B, GLN84H, GLU53B, GLU53H, GLU80B, GLU80H, GLY52B, GLY52H, GLY73B, GLY73H, GLY82B, GLY82H, ILE81B, ILE81H, LEU20B, LEU20H, LEU49B, LEU49H, LYS18B, LYS18H, PHE21B, PHE21H, PRO74B, PRO74H, VAL15B, VAL15H
• C-E: ALA75C, ALA76C, ARG54C, ARG54E, ARG77C, ARG78C, ARG78E, ARG97C, ARG97E, ASN37C, ASN41C, ASN48E, ASN50E, ASN51E, ASN72C, ASN99E, ASP106E, ASP19C, ASP94C, ASP94E, GLN45E, GLN84E, GLN92C, GLN92E, GLU40C, GLU42C, GLU53C, GLU53E, GLU56C, GLU56E, GLY52E, GLY73C, ILE100C, ILE100E, ILE26C, ILE38C, ILE39C, ILE3C, ILE3E, ILE60C, ILE87E, ILE88E, LEU104E, LEU20C, LEU2C, LEU2E, LEU49E, LEU55C, LEU55E, LEU6E, LEU71C, LEU85E, LYS101E, LYS108E, LYS43C, LYS43E, LYS61C, LYS7C, LYS7E, LYS9E, PHE21C, PHE86E, PRO102E, PRO74C, PRO95E, SER11E, SER25C, SER4C, SER4E, SER89C, SER89E, SER8C, SER8E, THR57C, THR91C, THR91E, THR96E, TYR12E, TYR22C, TYR58C, TYR90C, TYR90E, VAL44C, VAL46C, VAL46E, VAL47E, VAL59C, VAL5C, VAL5E, VAL93C, VAL93E
• C-F: ASN48C, ASN48F, ASN50C, ASN50F, ASN51C, ASN51F, ASP83C, ASP83F, CYS79C, CYS79F, GLU53C, GLU53F, GLU80C, GLU80F, GLY52C, GLY52F, LEU49C, LEU49F
• C-G: ARG77C, ARG77G
• C-I: ALA75C, ALA75I, ALA76C, ALA76I, ARG77C, ARG77I, ARG78C, ARG78I, ASN48C, ASN48I, ASN50C, ASN50I, ASN51C, ASN51I, ASP83C, ASP83I, CYS79C, CYS79I, GLN84C, GLN84I, GLU53C, GLU53I, GLU80C, GLU80I, GLY52C, GLY52I, GLY73C, GLY73I, GLY82C, GLY82I, ILE81C, ILE81I, LEU20C, LEU20I, LEU49C, LEU49I, LYS18C, LYS18I, PHE21C, PHE21I, PRO74C, PRO74I, VAL15C, VAL15I
• E-G: ALA75E, ALA75G, ALA76E, ALA76G, ARG77E, ARG77G, ARG78E, ARG78G, ASN48E, ASN48G, ASN50E, ASN50G, ASN51E, ASN51G, ASP19E, ASP83E, ASP83G, CYS79E, CYS79G, GLN84E, GLN84G, GLU53E, GLU53G, GLU80E, GLU80G, GLY52E, GLY52G, GLY73E, GLY73G, GLY82E, GLY82G, ILE81E, ILE81G, LEU20E, LEU20G, LEU49E, LEU49G, LYS18E, LYS18G, PHE21E, PHE21G, PRO74E, PRO74G, VAL15E, VAL15G
• E-H: ARG77E, ARG77H
• E-I: ASN48E, ASN48I, ASN50E, ASN50I, ASN51E, ASN51I, ASP83E, ASP83I, CYS79E, CYS79I, GLU53E, GLU53I, GLU80E, GLU80I, GLY52E, GLY52I, LEU49E, LEU49I
• F-G: GLN92F, GLN92G, LEU2F, LEU2G, LYS43F, LYS43G, SER4F, SER4G
• F-H: ALA75F, ALA76F, ARG54F, ARG54H, ARG77F, ARG78F, ARG78H, ARG97H, ASN37F, ASN41F, ASN48H, ASN50H, ASN51H, ASN72F, ASN99H, ASP106H, ASP19F, ASP94F, ASP94H, GLN45H, GLN84H, GLN92F, GLN92H, GLU40F, GLU42F, GLU53F, GLU53H, GLU56F, GLU56H, GLU98H, GLY52H, GLY73F, ILE100F, ILE100H, ILE26F, ILE38F, ILE39F, ILE3F, ILE3H, ILE60F, ILE88H, LEU104H, LEU20F, LEU2F, LEU2H, LEU49H, LEU55F, LEU55H, LEU6H, LEU71F, LEU85H, LYS101H, LYS108H, LYS43F, LYS43H, LYS61F, LYS7F, LYS7H, LYS9H, PHE21F, PHE86H, PRO102H, PRO74F, PRO95H, SER11H, SER25F, SER4F, SER4H, SER89F, SER89H, SER8F, SER8H, THR57F, THR91F, THR91H, THR96H, TYR12H, TYR22F, TYR58F, TYR90F, TYR90H, VAL23F, VAL44F, VAL46F, VAL46H, VAL47H, VAL59F, VAL5F, VAL5H, VAL93F, VAL93H
• F-I: ALA75I, ALA76I, ARG54F, ARG54I, ARG77I, ARG78F, ARG78I, ARG97F, ASN37I, ASN41I, ASN48F, ASN50F, ASN51F, ASN72I, ASN99F, ASP106F, ASP19I, ASP94F, ASP94I, GLN45F, GLN84F, GLN92F, GLN92I, GLU40I, GLU42I, GLU53F, GLU53I, GLU56F, GLU56I, GLY52F, GLY73I, ILE100F, ILE100I, ILE26I, ILE38I, ILE39I, ILE3F, ILE3I, ILE60I, ILE87F, ILE88F, LEU104F, LEU20I, LEU2F, LEU2I, LEU49F, LEU55F, LEU55I, LEU6F, LEU71I, LEU85F, LYS101F, LYS108F, LYS43F, LYS43I, LYS61I, LYS7F, LYS7I, LYS9F, PHE21I, PHE86F, PRO102F, PRO74I, PRO95F, SER11F, SER25I, SER4F, SER4I, SER89F, SER89I, SER8F, SER8I, THR57I, THR91F, THR91I, THR96F, TYR12F, TYR22I, TYR58I, TYR90F, TYR90I, VAL23I, VAL44I, VAL46F, VAL46I, VAL47F, VAL59I, VAL5F, VAL5I, VAL93F, VAL93I
• G-H: ALA75H, ALA76H, ARG54G, ARG54H, ARG77H, ARG78G, ARG78H, ARG97G, ARG97H, ASN37H, ASN41H, ASN48G, ASN50G, ASN51G, ASN72H, ASN99G, ASP106G, ASP19H, ASP94G, ASP94H, GLN45G, GLN84G, GLN92G, GLN92H, GLU40H, GLU42H, GLU53G, GLU53H, GLU56G, GLU56H, GLU98G, GLY52G, GLY73H, ILE100G, ILE100H, ILE26H, ILE38H, ILE39H, ILE3G, ILE3H, ILE60H, ILE87G, ILE88G, LEU104G, LEU20H, LEU2G, LEU2H, LEU49G, LEU55G, LEU55H, LEU6G, LEU71H, LEU85G, LYS101G, LYS108G, LYS43G, LYS43H, LYS61H, LYS7G, LYS7H, LYS9G, PHE21H, PHE86G, PRO102G, PRO74H, PRO95G, SER11G, SER25H, SER4G, SER4H, SER89G, SER89H, SER8G, SER8H, THR57H, THR91G, THR91H, TYR12G, TYR22H, TYR58H, TYR90G, TYR90H, VAL23H, VAL44H, VAL46G, VAL46H, VAL47G, VAL59H, VAL5G, VAL5H, VAL93G, VAL93H
• G-I: ALA75G, ALA76G, ARG54G, ARG54I, ARG77G, ARG78G, ARG78I, ARG97G, ARG97I, ASN37G, ASN41G, ASN48I, ASN50I, ASN51I, ASN72G, ASN99I, ASP106I, ASP19G, ASP94G, ASP94I, GLN45I, GLN84I, GLN92G, GLN92I, GLU40G, GLU42G, GLU53G, GLU53I, GLU56G, GLU56I, GLY52I, GLY73G, ILE100G, ILE100I, ILE26G, ILE38G, ILE39G, ILE3G, ILE3I, ILE60G, ILE87I, ILE88I, LEU104I, LEU20G, LEU2G, LEU2I, LEU49I, LEU55G, LEU55I, LEU6I, LEU71G, LEU85I, LYS101I, LYS108I, LYS43G, LYS43I, LYS7G, LYS7I, LYS9I, PHE21G, PHE86I, PRO102I, PRO74G, PRO95I, SER11I, SER25G, SER4G, SER4I, SER89G, SER89I, SER8G, SER8I, THR57G, THR91G, THR91I, THR96I, TYR12I, TYR22G, TYR58G, TYR90G, TYR90I, VAL23G, VAL44G, VAL46G, VAL46I, VAL47I, VAL59G, VAL5G, VAL5I, VAL93G, VAL93I
• H-I: GLN92H, GLN92I, LEU2H, LEU2I, LYS43H, LYS43I, SER4H, SER4I