3CDX

crystal structure of succinylglutamatedesuccinylase/aspartoacylase from rhodobacter sphaeroides

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 20
  • Norm. En. per Res.: -5.0338
• Hub Node: A(5)

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	-39.78	-67.1048	-514.644	-621.5288	179	13	17	19879	5	64	61
A-C	0.0	0.0	-1.0699	-1.0699	14	0	0	137	0	2	0
A-D	-43.1479	-20.2677	-36.0107	-99.4263	22	3	0	1089	10	10	5
A-E	-31.2093	-41.8406	-176.066	-249.1159	93	6	0	7181	4	17	22
A-F	-58.4006	-44.6776	-168.216	-271.2942	86	6	0	6546	4	19	22
B-C	-53.9344	-40.2399	-164.276	-258.4502	88	9	0	6572	2	19	22
B-D	-61.3827	-35.9351	-167.759	-265.0768	90	15	0	6934	2	17	23
B-E	0.0	0.0	-0.9701	-0.9701	14	0	0	132	0	2	0
B-F	-38.0072	-19.6323	-40.1509	-97.7905	22	3	0	1142	11	10	5
C-D	-47.2085	-45.307	-152.605	-245.1205	85	12	0	6251	4	18	22
C-E	-36.5315	-30.1426	-34.0017	-100.6758	20	2	0	1103	12	10	5
C-F	-42.013	14.4372	-507.266	-534.8418	176	15	16	19807	4	64	59
D-E	-42.5447	-56.1549	-511.371	-610.0705	178	19	16	19761	4	64	60
D-F	0.0	0.0	-1.1068	-1.1068	14	0	0	139	0	2	0
E-F	-30.1371	-39.7897	-186.364	-256.2908	93	8	0	7226	4	21	22

Interface residues

• A-B: ALA23A, ALA23B, ALA26A, ALA26B, ALA293A, ALA293B, ALA305A, ALA305B, ALA321A, ALA321B, ALA71A, ALA71B, ALA76A, ALA76B, ALA93A, ALA93B, ALA98A, ALA98B, ARG219A, ARG219B, ARG21A, ARG21B, ARG226A, ARG226B, ARG325A, ARG325B, ARG77A, ARG77B, ARG78A, ARG78B, ASN221A, ASN221B, ASP102A, ASP102B, ASP155A, ASP155B, ASP301A, ASP301B, ASP303A, ASP303B, ASP64A, ASP64B, ASP74A, ASP74B, GLN100A, GLN100B, GLN22A, GLN22B, GLN69A, GLN69B, GLU223A, GLU223B, GLU278A, GLU278B, GLU285A, GLU285B, GLU300A, GLU300B, GLU41A, GLU41B, GLU65A, GLU65B, GLU67A, GLU67B, GLY216A, GLY216B, GLY218A, GLY218B, GLY224A, GLY224B, GLY24A, GLY24B, GLY275A, GLY275B, GLY294B, GLY320A, GLY322A, GLY322B, GLY324A, GLY324B, GLY60A, GLY60B, GLY63A, GLY63B, GLY68A, GLY68B, HIS152A, HIS152B, HIS281A, HIS281B, HIS297A, HIS297B, ILE14A, ILE14B, ILE222A, ILE222B, ILE296A, ILE296B, ILE42A, ILE42B, ILE44A, ILE44B, ILE70A, ILE70B, ILE72A, ILE72B, ILE99A, ILE99B, LEU276A, LEU276B, LEU91A, LEU91B, LYS229A, LYS229B, MET90A, MET90B, MET96A, MET96B, PHE277A, PHE277B, PHE298A, PHE298B, PRO279A, PRO279B, PRO306A, PRO306B, PRO323A, PRO323B, PRO43A, PRO43B, PRO92A, PRO92B, PRO97B, SER101A, SER101B, SER73A, SER73B, THR103A, THR103B, THR274A, THR274B, THR280A, THR280B, THR304A, THR304B, THR45A, THR45B, TRP217A, TRP217B, TRP295A, TRP295B, TYR154A, TYR154B, TYR25A, TYR25B, TYR282A, TYR282B, TYR311A, TYR311B, TYR66A, TYR66B, VAL220A, VAL220B, VAL225A, VAL225B, VAL283A, VAL283B, VAL299A, VAL299B, VAL302A, VAL302B, VAL326A, VAL326B, VAL40A, VAL40B, VAL46A, VAL46B, VAL94A, VAL94B
• A-C: ASN34A, ASN34C, ASP102A, ASP102C, GLY218A, GLY218C, HIS152A, HIS152C, SER101A, SER101C, THR103A, THR103C, TYR66A, TYR66C
• A-D: ARG273A, ARG273D, ARG328A, ARG328D, ASP301A, ASP301D, ASP303A, ASP303D, GLU300A, GLU300D, PHE298A, PHE298D, PRO272A, PRO272D, THR274A, THR274D, THR304A, THR304D, VAL299A, VAL299D, VAL302A, VAL302D
• A-E: ALA150A, ALA265A, ALA271A, ALA331A, ALA98A, ARG104A, ARG111A, ARG115A, ARG122E, ARG204A, ARG273A, ARG27E, ARG325A, ARG328A, ARG32E, ARG9E, ASN114A, ASN161A, ASN33E, ASN34E, ASP102A, ASP109A, ASP109E, ASP112A, ASP120E, ASP13E, ASP330A, ASP64A, CYS116A, CYS201A, GLN100E, GLN127A, GLN127E, GLU213A, GLU41E, GLU65A, GLY110A, GLY119A, GLY123E, GLY151A, GLY195A, GLY24E, GLY322A, GLY324A, GLY329A, GLY36E, GLY38E, GLY63A, HIS152A, HIS163A, HIS62A, ILE42E, LEU105A, LEU30E, MET128E, MET270A, MET96E, PHE117A, PHE125E, PHE189A, PHE319A, PRO107A, PRO118A, PRO121E, PRO272A, PRO29E, PRO323A, PRO43E, SER101A, SER106A, SER153A, SER196A, SER200A, SER31E, SER35E, THR103A, THR124A, THR124E, THR197A, THR274A, THR327A, THR39E, TRP318A, TRP37E, TYR154A, TYR25E, TYR268A, VAL108E, VAL187A, VAL262A, VAL326A, VAL334A, VAL40E
• A-F: ALA150F, ALA265F, ALA271F, ALA28A, ALA331F, ALA98F, ARG104F, ARG111F, ARG115F, ARG122A, ARG204F, ARG273F, ARG27A, ARG325F, ARG328F, ARG32A, ARG9A, ASN114F, ASN33A, ASN34A, ASP102F, ASP109A, ASP109F, ASP112F, ASP120A, ASP13A, ASP330F, ASP64F, CYS116F, CYS201F, GLN100A, GLN127A, GLN127F, GLU41A, GLU65F, GLY110F, GLY119F, GLY123A, GLY151F, GLY24A, GLY322F, GLY324F, GLY329F, GLY36A, GLY38A, GLY63F, HIS152F, HIS62F, ILE42A, LEU105F, LEU30A, MET128A, MET270F, MET96A, PHE117F, PHE125A, PHE319F, PRO107F, PRO118F, PRO121A, PRO272F, PRO29A, PRO323F, PRO43A, SER101F, SER106F, SER153F, SER196F, SER200F, SER31A, SER35A, THR103F, THR124A, THR124F, THR197F, THR274F, THR327F, THR39A, TRP37A, TYR154F, TYR25A, TYR268F, VAL108A, VAL326F, VAL334F, VAL40A
• B-C: ALA150B, ALA265B, ALA271B, ALA331B, ALA98B, ARG104B, ARG111B, ARG115B, ARG122C, ARG204B, ARG273B, ARG27C, ARG325B, ARG328B, ARG32C, ARG9C, ASN114B, ASN33C, ASN34C, ASP102B, ASP109B, ASP109C, ASP112B, ASP120C, ASP13C, ASP330B, ASP64B, CYS116B, CYS201B, GLN100C, GLN127B, GLN127C, GLU41C, GLU65B, GLY110B, GLY119B, GLY123C, GLY151B, GLY195B, GLY24C, GLY322B, GLY324B, GLY329B, GLY36C, GLY38C, GLY63B, HIS152B, HIS62B, ILE113B, ILE42C, LEU105B, LEU30C, MET128C, MET270B, MET96C, PHE117B, PHE125C, PHE319B, PRO107B, PRO118B, PRO121C, PRO272B, PRO29C, PRO323B, PRO43C, SER101B, SER106B, SER153B, SER196B, SER200B, SER31C, SER35C, THR103B, THR124B, THR124C, THR197B, THR274B, THR327B, THR39C, TRP318B, TRP37C, TYR154B, TYR25C, TYR268B, VAL108C, VAL326B, VAL334B, VAL40C
• B-D: ALA150D, ALA265D, ALA271D, ALA331D, ALA333D, ALA98D, ARG104D, ARG111D, ARG115D, ARG122B, ARG273D, ARG27B, ARG325D, ARG328D, ARG32B, ARG9B, ASN114D, ASN161D, ASN33B, ASN34B, ASP102D, ASP109B, ASP109D, ASP112D, ASP120B, ASP13B, ASP330D, ASP64D, CYS116D, CYS201D, GLN100B, GLN127B, GLN127D, GLU213D, GLU41B, GLU65D, GLY110D, GLY119D, GLY123B, GLY151D, GLY24B, GLY322D, GLY324D, GLY329D, GLY36B, GLY38B, HIS152D, HIS62D, ILE113D, ILE42B, LEU105D, LEU30B, MET128B, MET270D, MET96B, PHE117D, PHE125B, PHE319D, PRO107D, PRO118D, PRO121B, PRO272D, PRO29B, PRO323D, PRO43B, SER101D, SER106D, SER153D, SER196D, SER200D, SER31B, SER35B, THR103D, THR124B, THR124D, THR197D, THR274D, THR327D, THR39B, TRP318D, TRP37B, TYR154D, TYR25B, TYR268D, VAL108B, VAL187D, VAL262D, VAL326D, VAL334D, VAL40B
• B-E: ASN34B, ASN34E, ASP102B, ASP102E, GLY218B, GLY218E, HIS152B, HIS152E, SER101B, SER101E, THR103B, THR103E, TYR66B, TYR66E
• B-F: ARG273B, ARG273F, ARG328B, ARG328F, ASP301B, ASP301F, ASP303F, GLU300B, GLU300F, PHE298B, PHE298F, PRO272B, PRO272F, THR274B, THR304B, THR304F, TRP3B, TRP3F, VAL299B, VAL299F, VAL302B, VAL302F
• C-D: ALA150C, ALA265C, ALA271C, ALA28D, ALA331C, ALA98C, ARG104C, ARG111C, ARG115C, ARG122D, ARG273C, ARG27D, ARG325C, ARG328C, ARG32D, ARG9D, ASN114C, ASN33D, ASN34D, ASP102C, ASP109C, ASP109D, ASP112C, ASP120D, ASP13D, ASP330C, ASP64C, CYS116C, CYS201C, GLN100D, GLN127C, GLN127D, GLU41D, GLU65C, GLY110C, GLY119C, GLY123D, GLY151C, GLY24D, GLY322C, GLY324C, GLY329C, GLY36D, GLY38D, HIS152C, HIS62C, ILE113C, ILE42D, LEU105C, LEU30D, MET128D, MET270C, MET96D, PHE117C, PHE125D, PHE319C, PRO107C, PRO118C, PRO121D, PRO272C, PRO29D, PRO323C, PRO43D, SER101C, SER106C, SER153C, SER196C, SER200C, SER31D, SER35D, THR103C, THR124D, THR197C, THR274C, THR327C, THR39D, TRP318C, TRP37D, TYR154C, TYR25D, TYR268C, VAL108D, VAL326C, VAL334C, VAL40D
• C-E: ARG273C, ARG273E, ARG328C, ARG328E, ASP301C, ASP301E, ASP303C, GLU300C, GLU300E, PHE298C, PHE298E, PRO272C, PRO272E, THR274C, THR304C, THR304E, VAL299C, VAL299E, VAL302C, VAL302E
• C-F: ALA23C, ALA23F, ALA26C, ALA26F, ALA293C, ALA293F, ALA305C, ALA305F, ALA321C, ALA321F, ALA71C, ALA71F, ALA76C, ALA76F, ALA93C, ALA93F, ALA98C, ALA98F, ARG219C, ARG219F, ARG21C, ARG21F, ARG226C, ARG226F, ARG325C, ARG325F, ARG77C, ARG77F, ARG78C, ARG78F, ASN221C, ASN221F, ASP102C, ASP102F, ASP155C, ASP155F, ASP301C, ASP301F, ASP303C, ASP303F, ASP64C, ASP64F, ASP74C, ASP74F, GLN100C, GLN100F, GLN22C, GLN22F, GLN69C, GLN69F, GLU223C, GLU223F, GLU278C, GLU278F, GLU285C, GLU285F, GLU300C, GLU300F, GLU41C, GLU41F, GLU65C, GLU65F, GLU67C, GLU67F, GLY216C, GLY216F, GLY218C, GLY218F, GLY224C, GLY224F, GLY24C, GLY24F, GLY275C, GLY275F, GLY322C, GLY322F, GLY324C, GLY324F, GLY60C, GLY60F, GLY63C, GLY63F, GLY68C, GLY68F, HIS152C, HIS152F, HIS281C, HIS281F, HIS297C, HIS297F, ILE14C, ILE14F, ILE222C, ILE222F, ILE296C, ILE296F, ILE42C, ILE42F, ILE44C, ILE44F, ILE70C, ILE70F, ILE72C, ILE72F, ILE99C, ILE99F, LEU276C, LEU276F, LEU91C, LEU91F, LYS229C, LYS229F, MET90C, MET90F, MET96C, MET96F, PHE277C, PHE277F, PHE298C, PHE298F, PRO279C, PRO279F, PRO306C, PRO306F, PRO323C, PRO323F, PRO43C, PRO43F, PRO92C, PRO92F, SER101C, SER101F, SER73C, SER73F, THR103C, THR103F, THR274C, THR274F, THR280C, THR280F, THR304C, THR304F, THR45C, THR45F, TRP217C, TRP217F, TRP295C, TRP295F, TYR154C, TYR154F, TYR25C, TYR25F, TYR282C, TYR282F, TYR311C, TYR311F, TYR66C, TYR66F, VAL220C, VAL220F, VAL225C, VAL225F, VAL283C, VAL283F, VAL299C, VAL299F, VAL302C, VAL302F, VAL326C, VAL326F, VAL40C, VAL40F, VAL46C, VAL46F, VAL94C, VAL94F
• D-E: ALA23D, ALA23E, ALA26D, ALA26E, ALA293D, ALA293E, ALA305D, ALA305E, ALA321D, ALA321E, ALA71D, ALA71E, ALA76D, ALA76E, ALA93D, ALA93E, ALA98D, ALA98E, ARG219D, ARG219E, ARG21D, ARG21E, ARG226D, ARG226E, ARG251E, ARG325D, ARG325E, ARG77D, ARG77E, ARG78D, ARG78E, ASN221D, ASN221E, ASP102D, ASP102E, ASP155D, ASP155E, ASP301D, ASP301E, ASP303D, ASP303E, ASP64D, ASP64E, ASP74D, ASP74E, GLN100D, GLN100E, GLN22D, GLN22E, GLN69D, GLN69E, GLU223D, GLU223E, GLU278D, GLU278E, GLU285D, GLU285E, GLU300D, GLU300E, GLU41D, GLU41E, GLU65D, GLU65E, GLU67D, GLU67E, GLY216D, GLY216E, GLY218D, GLY218E, GLY224D, GLY224E, GLY24D, GLY24E, GLY275D, GLY275E, GLY320D, GLY320E, GLY322D, GLY322E, GLY324D, GLY324E, GLY60D, GLY60E, GLY63D, GLY63E, GLY68D, GLY68E, HIS152D, HIS152E, HIS281D, HIS281E, HIS297D, HIS297E, ILE14D, ILE14E, ILE222D, ILE222E, ILE296D, ILE296E, ILE42D, ILE42E, ILE44D, ILE44E, ILE70D, ILE70E, ILE72D, ILE72E, ILE99D, ILE99E, LEU276D, LEU276E, LEU91D, LEU91E, LYS229D, LYS229E, MET90D, MET90E, MET96D, MET96E, PHE277D, PHE277E, PHE298D, PHE298E, PRO279D, PRO279E, PRO306D, PRO306E, PRO323D, PRO323E, PRO43D, PRO43E, PRO92D, PRO92E, PRO97D, PRO97E, SER101D, SER101E, SER73D, SER73E, THR103D, THR103E, THR274D, THR274E, THR280D, THR280E, THR304D, THR304E, THR45D, THR45E, TRP217D, TRP217E, TRP295D, TRP295E, TYR154D, TYR154E, TYR25D, TYR25E, TYR282D, TYR282E, TYR311D, TYR66D, TYR66E, VAL220D, VAL220E, VAL225D, VAL225E, VAL283D, VAL283E, VAL299D, VAL299E, VAL302D, VAL302E, VAL326D, VAL326E, VAL46D, VAL46E, VAL94D, VAL94E
• D-F: ASN34D, ASN34F, ASP102D, ASP102F, GLY218D, GLY218F, HIS152D, HIS152F, SER101D, SER101F, THR103D, THR103F, TYR66D, TYR66F
• E-F: ALA150E, ALA265E, ALA271E, ALA28F, ALA331E, ALA333E, ALA98E, ARG104E, ARG111E, ARG115E, ARG122F, ARG273E, ARG27F, ARG325E, ARG328E, ARG32F, ARG9F, ASN114E, ASN161E, ASN33F, ASN34F, ASP102E, ASP109E, ASP109F, ASP112E, ASP120F, ASP13F, ASP330E, ASP64E, CYS116E, CYS201E, GLN100F, GLN127E, GLN127F, GLU213E, GLU41F, GLU65E, GLY110E, GLY119E, GLY123F, GLY151E, GLY24F, GLY322E, GLY324E, GLY329E, GLY36F, GLY38F, GLY63E, HIS152E, HIS163E, HIS62E, ILE42F, LEU105E, LEU30F, MET128F, MET270E, MET96F, PHE117E, PHE125F, PHE189E, PHE319E, PRO107E, PRO118E, PRO121F, PRO272E, PRO29F, PRO323E, PRO43F, SER101E, SER106E, SER153E, SER196E, SER200E, SER31F, SER35F, THR103E, THR124E, THR124F, THR197E, THR274E, THR327E, THR39F, TRP318E, TRP37F, TYR154E, TYR25F, TYR268E, VAL108F, VAL187E, VAL262E, VAL326E, VAL334E, VAL40F