3LVY

crystal structure of carboxymuconolactone decarboxylase family protein smu.961 from streptococcus mutans

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 176
  • Norm. En. per Res.: -3.8905
• 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	-49.8289	-110.9392	-523.958	-684.7261	176	10	26	21188	10	30	17
A-C	0.0	0.0	-13.7157	-13.7157	31	0	0	1004	0	8	11
A-D	-13.4722	24.1135	-94.9224	-84.2812	65	13	1	4789	1	12	23
B-C	-8.0864	14.6241	-90.0331	-83.4954	63	3	1	4455	1	14	24
B-D	0.0	0.0	-1.4451	-1.4451	5	0	0	189	0	0	4
C-D	-37.5554	-99.73	-501.848	-639.1334	172	18	26	20711	9	30	18
C-E	0.0	28.1472	-11.6496	16.4976	10	0	0	441	0	6	4
C-F	0.0	-11.6352	-42.9602	-54.5954	40	3	0	2359	0	32	36
D-E	0.0	1.5689	-1.4581	0.1108	18	0	0	291	0	10	7
D-F	0.0	28.3979	-9.0842	19.3137	9	1	0	466	0	5	4
E-F	-29.2198	-94.2465	-470.457	-593.9234	169	23	27	19910	8	24	18

Interface residues

• A-B: ALA136A, ALA136B, ALA138A, ALA138B, ALA150A, ALA150B, ALA160A, ALA160B, ALA166A, ALA166B, ALA170A, ALA170B, ALA39A, ALA39B, ALA41A, ALA41B, ALA44A, ALA44B, ALA72A, ALA72B, ALA73A, ALA73B, ALA79A, ALA79B, ARG131A, ARG131B, ARG15A, ARG15B, ARG49A, ARG49B, ARG56A, ARG56B, ARG57A, ARG57B, ARG65A, ARG65B, ASN127A, ASN127B, ASN149A, ASN149B, ASN164A, ASN164B, ASN167A, ASN167B, ASN168A, ASN168B, ASN40A, ASN40B, ASN55A, ASN55B, ASN58A, ASN58B, ASN76A, ASN76B, ASP134A, ASP134B, ASP152A, ASP152B, ASP171A, ASP171B, CYS163A, CYS163B, CYS78A, CYS78B, GLU135A, GLU135B, GLU148A, GLU148B, GLU46A, GLU46B, GLU53A, GLU53B, GLY130A, GLY130B, GLY133A, GLY133B, GLY156A, GLY156B, GLY36A, GLY36B, GLY52A, GLY52B, GLY77A, GLY77B, HIS7A, HIS7B, ILE126A, ILE126B, ILE35A, ILE54A, ILE54B, ILE6A, ILE6B, LEU141A, LEU141B, LEU151A, LEU151B, LEU155A, LEU155B, LEU159A, LEU159B, LEU162A, LEU162B, LEU34A, LEU34B, LEU37A, LEU37B, LEU38A, LEU38B, LEU45A, LEU45B, LEU60A, LEU60B, LYS129A, LYS129B, LYS3A, LYS3B, PHE121A, PHE121B, PHE137A, PHE137B, PHE140A, PHE140B, PHE4A, PHE4B, PHE80A, PRO13A, PRO13B, PRO147A, PRO147B, PRO42A, PRO42B, SER158A, SER158B, SER161A, SER161B, SER2A, SER2B, SER59A, SER59B, THR122A, THR122B, THR128A, THR128B, THR146A, THR146B, THR172A, THR172B, THR43A, THR43B, THR47A, THR47B, THR50A, THR50B, THR5A, THR5B, THR75A, THR75B, TYR165A, TYR165B, TYR48A, TYR48B, VAL125A, VAL125B, VAL132A, VAL132B, VAL153A, VAL153B, VAL154A, VAL154B, VAL157A, VAL157B, VAL51A, VAL51B, VAL74A, VAL74B
• A-C: ALA124A, ALA124C, ALA136A, ALA136C, ARG131A, ARG131C, ASN127A, ASN127C, GLU135A, GLU135C, GLY133A, GLY133C, GLY184A, GLY77A, GLY77C, ILE123A, ILE123C, ILE126A, ILE126C, LYS129A, LYS129C, LYS183A, LYS183C, LYS3A, LYS3C, THR128A, THR128C, THR75A, THR75C, VAL132A, VAL132C
• A-D: ALA102A, ALA106A, ALA106D, ALA119A, ALA119D, ALA124D, ALA136D, ALA138D, ALA79A, ALA79D, ARG104A, ARG131D, ASN105A, ASN105D, ASN127A, ASN127D, ASN76A, ASP110A, ASP111A, ASP116A, ASP116D, ASP134D, ASP139D, ASP98A, CYS78A, GLU101A, GLU135A, GLU135D, GLY133D, GLY184A, GLY77A, GLY77D, ILE109A, ILE109D, ILE123A, ILE123D, ILE126A, ILE126D, LEU100A, LEU103A, LYS120A, LYS120D, LYS129D, LYS183A, PHE121D, PHE137D, PRO108A, PRO108D, PRO113A, PRO97A, THR107A, THR107D, THR117D, THR122D, THR128D, THR71A, THR71D, THR75A, THR75D, VAL125D, VAL132D, VAL182A, VAL74A, VAL74D, VAL82A
• B-C: ALA102C, ALA106B, ALA106C, ALA119B, ALA119C, ALA124B, ALA136B, ALA79B, ALA79C, ARG104C, ARG131B, ASN105B, ASN105C, ASN127B, ASN127C, ASN76C, ASP110B, ASP110C, ASP111C, ASP116B, ASP116C, ASP134B, ASP139B, ASP98C, CYS78C, GLU101C, GLU135B, GLU135C, GLY133B, GLY77B, GLY77C, ILE109B, ILE109C, ILE123B, ILE123C, ILE126B, ILE126C, LEU100C, LEU103C, LYS120B, LYS120C, LYS129B, LYS183C, PHE121B, PHE137B, PRO108B, PRO108C, PRO97C, THR107B, THR107C, THR117B, THR122B, THR128B, THR71B, THR71C, THR75B, THR75C, VAL125B, VAL132B, VAL182C, VAL74B, VAL74C, VAL82C
• B-D: ARG131B, ARG131D, LYS129B, LYS129D, THR128B
• C-D: ALA136C, ALA136D, ALA138C, ALA138D, ALA150C, ALA150D, ALA160C, ALA160D, ALA166C, ALA166D, ALA170C, ALA170D, ALA39C, ALA39D, ALA41C, ALA41D, ALA44C, ALA44D, ALA72C, ALA72D, ALA73C, ALA73D, ALA79C, ALA79D, ARG131C, ARG131D, ARG15C, ARG15D, ARG49C, ARG49D, ARG56C, ARG56D, ARG57C, ARG57D, ARG65C, ARG65D, ASN127C, ASN127D, ASN149C, ASN149D, ASN164C, ASN164D, ASN167C, ASN167D, ASN168C, ASN168D, ASN40C, ASN40D, ASN55C, ASN55D, ASN58C, ASN58D, ASN76C, ASN76D, ASP134C, ASP134D, ASP152C, ASP152D, ASP171C, ASP171D, CYS163C, CYS163D, CYS78C, CYS78D, GLU135C, GLU135D, GLU148C, GLU148D, GLU46C, GLU46D, GLU53C, GLU53D, GLY130C, GLY130D, GLY133C, GLY133D, GLY156C, GLY156D, GLY36C, GLY36D, GLY52C, GLY52D, GLY77C, GLY77D, HIS7C, HIS7D, ILE126C, ILE126D, ILE54C, ILE54D, ILE6C, ILE6D, LEU141C, LEU141D, LEU151C, LEU151D, LEU155C, LEU155D, LEU159C, LEU159D, LEU162C, LEU162D, LEU34C, LEU34D, LEU37C, LEU37D, LEU38C, LEU38D, LEU45C, LEU45D, LEU60C, LEU60D, LYS129C, LYS129D, LYS3C, LYS3D, PHE121C, PHE121D, PHE137C, PHE137D, PHE140C, PHE140D, PHE4C, PHE4D, PHE80C, PRO13C, PRO13D, PRO147C, PRO147D, PRO42C, PRO42D, SER158C, SER158D, SER161C, SER161D, SER2C, SER2D, SER59C, SER59D, THR128C, THR128D, THR146C, THR146D, THR172C, THR43C, THR43D, THR47C, THR47D, THR50C, THR50D, THR5C, THR5D, THR75C, THR75D, TYR165C, TYR165D, TYR48C, TYR48D, VAL125C, VAL125D, VAL132C, VAL132D, VAL153C, VAL153D, VAL154C, VAL154D, VAL157C, VAL157D, VAL51C, VAL51D, VAL74C, VAL74D
• C-E: ARG15C, ARG57E, ASN58E, GLU14C, GLU53E, ILE54E, PRO13C, PRO42C, THR43C, THR50E
• C-F: ARG15C, ARG15F, ARG21C, ARG21F, ARG49C, ARG49F, ARG57F, ASP26C, ASP26F, GLU10C, GLU14C, GLU14F, GLU18C, GLU18F, GLU46C, GLU46F, GLU53C, GLU53F, ILE54C, ILE54F, LEU20C, LEU20F, LYS17C, LYS17F, PRO13C, PRO13F, PRO42C, PRO42F, THR19C, THR19F, THR22C, THR22F, THR43C, THR43F, THR50C, THR50F, VAL16C, VAL16F, VAL23C, VAL23F
• D-E: ARG57D, ARG57E, ARG65D, ARG65E, ASN58D, ASN58E, GLN92E, GLU148D, GLU148E, GLU53D, GLU53E, LYS114D, PRO62D, PRO62E, SER59D, SER59E, THR61D, THR61E
• D-F: ARG15F, ARG57D, GLU14F, GLU53D, ILE54D, PRO13F, PRO42F, THR43F, THR50D
• E-F: ALA124E, ALA136E, ALA138E, ALA150E, ALA150F, ALA160E, ALA160F, ALA166E, ALA166F, ALA170E, ALA170F, ALA39E, ALA39F, ALA41E, ALA41F, ALA44E, ALA44F, ALA72E, ALA72F, ALA73E, ALA73F, ALA79E, ALA79F, ARG131E, ARG131F, ARG15E, ARG15F, ARG49E, ARG49F, ARG56E, ARG56F, ARG57E, ARG57F, ARG65E, ARG65F, ASN127E, ASN127F, ASN149E, ASN149F, ASN164E, ASN164F, ASN167E, ASN167F, ASN168E, ASN168F, ASN40E, ASN40F, ASN55E, ASN55F, ASN58E, ASN58F, ASN76E, ASN76F, ASP134E, ASP152E, ASP152F, ASP171E, ASP171F, CYS163E, CYS163F, CYS78E, CYS78F, GLU135E, GLU148E, GLU148F, GLU46E, GLU46F, GLU53E, GLU53F, GLY130E, GLY130F, GLY133E, GLY133F, GLY156E, GLY156F, GLY36E, GLY36F, GLY52E, GLY52F, GLY77E, GLY77F, HIS7E, HIS7F, ILE126E, ILE126F, ILE35F, ILE54E, ILE54F, ILE6E, ILE6F, LEU141E, LEU141F, LEU151E, LEU151F, LEU155E, LEU155F, LEU159E, LEU159F, LEU162E, LEU162F, LEU34E, LEU34F, LEU37E, LEU37F, LEU38E, LEU38F, LEU45E, LEU45F, LEU60E, LEU60F, LYS129E, LYS129F, LYS3F, PHE121E, PHE121F, PHE137E, PHE137F, PHE140E, PHE140F, PHE4E, PHE4F, PHE80F, PRO13E, PRO13F, PRO147E, PRO147F, PRO42E, PRO42F, SER158E, SER158F, SER161E, SER161F, SER2F, SER59E, SER59F, THR122E, THR128E, THR128F, THR146E, THR146F, THR172F, THR43E, THR43F, THR47E, THR47F, THR50E, THR50F, THR5E, THR5F, THR75E, THR75F, TYR165E, TYR165F, TYR48E, TYR48F, VAL125E, VAL125F, VAL132E, VAL132F, VAL153E, VAL153F, VAL154E, VAL154F, VAL157E, VAL157F, VAL51E, VAL51F, VAL74E, VAL74F