3OUR

crystal structure of complex between eiia and a novel pyruvate decarboxylase

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 85
  • Norm. En. per Res.: -3.2825
• 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	-30.1862	-61.45	-208.715	-300.3512	92	17	11	9769	4	39	36
A-C	0.0	0.0	-0.7507	-0.7507	14	0	0	154	0	7	7
A-D	-6.9823	-20.6907	-38.694	-66.367	31	2	0	1652	1	10	12
B-C	-15.2967	-43.5212	-129.652	-188.47	74	5	2	5613	1	27	18
C-D	-16.0021	-40.4654	-206.616	-263.0835	93	8	11	9864	0	42	35
C-E	-3.3392	0.7571	-20.5208	-23.1029	47	0	0	1045	0	27	26
D-E	-4.6053	-31.2162	-61.2947	-97.1162	43	7	0	3668	1	22	13
E-F	-28.7605	-56.4954	-193.754	-279.0099	85	10	11	9165	4	37	31
E-G	0.0	0.0	-1.3	-1.3	19	0	0	280	0	6	8
E-H	-8.4359	-41.2108	-121.374	-171.0207	74	3	2	5389	1	26	19
F-G	-17.4552	18.9414	-65.7791	-64.293	32	3	0	2275	0	11	13
G-H	-21.7955	-62.8013	-198.015	-282.6118	97	16	12	9814	4	39	35

Interface residues

• A-B: ALA43B, ALA72A, ALA75A, ALA77B, ARG104A, ARG106B, ARG112A, ARG53A, ARG54A, ARG73A, ARG81A, ASN143B, ASN75B, ASP39B, ASP63A, ASP88A, ASP95B, GLN396A, GLN56A, GLN67A, GLN69A, GLN85A, GLU101A, GLU102B, GLU108A, GLU110B, GLU35B, GLU44B, GLU66A, GLU68A, GLU73B, GLU84A, GLU87B, GLU98B, GLY101B, GLY397A, GLY48B, GLY69B, HIS76B, HIS79A, HIS91B, ILE141B, ILE394A, ILE46B, ILE65A, ILE71B, ILE74A, ILE80B, ILE94B, LEU105A, LEU52A, LEU55A, LEU71A, LEU87A, LEU88B, LEU99B, LYS100B, LYS392A, LYS45B, LYS70B, LYS78A, PHE42B, PHE46A, PHE72B, PHE78B, PHE89B, PRO38B, PRO64A, SER142B, SER391A, SER47A, SER76A, SER77A, SER79B, SER95A, THR393A, THR395A, THR74B, THR96B, TRP48A, TRP59A, TRP86A, VAL140B, VAL40B, VAL41B, VAL47B, VAL58A, VAL62A, VAL70A, VAL90A, VAL90B, VAL97B
• A-C: ARG104C, ARG73C, ASN44A, GLU115C, HIS94C, ILE394A, LYS111C, LYS392A, PHE46A, SER390A, SER391A, SER95C, THR393A, TYR100C
• A-D: ALA108D, ALA386A, ARG106D, ASP373A, GLN112D, GLN375A, GLU109D, GLU110D, GLU364A, GLU73D, GLY111D, GLY365A, GLY69D, ILE107D, ILE389A, ILE68D, ILE71D, LYS115D, LYS387A, LYS388A, LYS392A, LYS70D, MET376A, PHE379A, PRO370A, SER372A, SER390A, THR113D, THR67D, TYR371A, VAL114D
• B-C: ALA132B, ALA146C, ALA149C, ALA153C, ALA156C, ALA20C, ALA43B, ALA52B, ALA99C, ARG104C, ARG166B, ASN144C, ASN151B, ASN154C, ASN33B, ASN97C, ASP143C, ASP36B, ASP39B, GLN110C, GLN148C, GLN150C, GLN19C, GLU129B, GLU130B, GLU149B, GLU159C, GLU30B, GLU35B, GLU44B, GLY155B, GLY29B, GLY92C, HIS94C, ILE147C, ILE31B, ILE34B, ILE51B, ILE53B, ILE94B, LEU128B, LEU136B, LEU145C, LEU150B, LEU152C, LEU153B, LEU158C, LEU165B, LYS111C, LYS131B, LYS133B, LYS152B, LYS162C, LYS45B, LYS54B, MET107C, PRO38B, PRO55B, SER134B, SER142C, SER154B, SER155C, SER156B, SER95C, THR103C, THR135B, THR56B, TYR100C, TYR132C, TYR93C, VAL151C, VAL32B, VAL37B, VAL40B
• C-D: ALA43D, ALA72C, ALA75C, ALA77D, ARG106D, ARG112C, ARG53C, ARG54C, ARG73C, ARG81C, ASN143D, ASN75D, ASP39D, ASP63C, ASP95D, GLN396C, GLN56C, GLN67C, GLN69C, GLN85C, GLU102D, GLU108C, GLU110D, GLU35D, GLU42C, GLU44D, GLU66C, GLU68C, GLU73D, GLU84C, GLU87D, GLU98D, GLY101D, GLY397C, GLY45C, GLY48D, GLY69D, HIS76D, HIS79C, HIS91D, ILE141D, ILE394C, ILE46D, ILE65C, ILE71D, ILE74C, ILE80D, ILE94D, LEU105C, LEU363C, LEU52C, LEU55C, LEU71C, LEU87C, LEU88D, LEU99D, LYS100D, LYS131D, LYS133D, LYS392C, LYS45D, LYS70D, LYS78C, PHE42D, PHE46C, PHE72D, PHE78D, PHE89D, PRO64C, SER142D, SER391C, SER47C, SER76C, SER77C, SER79D, SER95C, THR393C, THR395C, THR74D, THR96D, TRP48C, TRP59C, TYR398C, VAL140D, VAL40D, VAL41D, VAL47D, VAL58C, VAL62C, VAL70C, VAL90C, VAL90D, VAL97D
• C-E: ALA386E, ARG265E, ARG352E, ARG54C, ASP301C, ASP366C, ASP411E, GLN307C, GLN311C, GLN375E, GLN85C, GLU364C, GLU39C, GLU412E, GLU42C, GLY365C, GLY45C, ILE389E, ILE394C, ILE40C, LEU363C, LEU404E, LYS308C, LYS355E, LYS387E, LYS388C, LYS388E, LYS392C, LYS407E, LYS41C, LYS43C, PHE379E, PHE46C, PRO357E, PRO367C, SER305C, SER372E, SER390C, SER390E, SER391C, SER391E, SER47C, THR382E, THR393C, TRP408E, TYR371E, TYR383E
• D-E: ALA132D, ALA43D, ALA52D, ARG352E, ASN33D, ASP36D, ASP39D, ASP95D, GLN375E, GLU129D, GLU130D, GLU35D, GLU44D, GLU98D, GLY347E, HIS300E, ILE34D, ILE94D, LEU128D, LEU136D, LEU349E, LYS131D, LYS133D, LYS344E, LYS353E, LYS54D, MET376E, PHE283E, PHE379E, PHE380E, PRO38D, SER134D, SER350E, SER351E, SER372E, SER381E, THR135D, THR354E, THR382E, VAL32D, VAL345E, VAL37D, VAL40D
• E-F: ALA43F, ALA72E, ALA75E, ALA77F, ARG106F, ARG54E, ARG73E, ARG81E, ASN75F, ASP39F, ASP63E, ASP95F, GLN396E, GLN67E, GLN69E, GLN85E, GLU101E, GLU102F, GLU110F, GLU35F, GLU44F, GLU66E, GLU68E, GLU73F, GLU84E, GLU87F, GLU98F, GLY101F, GLY397E, GLY45E, GLY48F, GLY69F, HIS76F, HIS79E, HIS91F, ILE394E, ILE46F, ILE65E, ILE71F, ILE74E, ILE94F, LEU105E, LEU52E, LEU55E, LEU71E, LEU87E, LEU88F, LEU99F, LYS100F, LYS133F, LYS392E, LYS45F, LYS70F, LYS78E, PHE42F, PHE46E, PHE72F, PHE78F, PHE89F, PRO64E, SER142F, SER391E, SER47E, SER76E, SER77E, SER79F, SER95E, THR393E, THR395E, THR74F, THR96F, TRP48E, TRP59E, TRP86E, TYR398E, VAL140F, VAL40F, VAL41F, VAL47F, VAL58E, VAL62E, VAL70E, VAL90E, VAL90F, VAL97F
• E-G: ARG104E, ARG73E, ASN44G, GLN396G, GLN69E, GLU101E, GLU115E, GLU364G, HIS79E, HIS94E, LYS388G, LYS392G, LYS43G, PHE46G, SER390G, SER391G, SER95E, THR393G, TYR100E
• E-H: ALA126H, ALA132H, ALA146E, ALA149E, ALA153E, ALA156E, ALA20E, ALA43H, ALA52H, ALA99E, ARG104E, ASN144E, ASN151H, ASN154E, ASN33H, ASN97E, ASP143E, ASP36H, ASP39H, GLN110E, GLN148E, GLN150E, GLN19E, GLU129H, GLU130H, GLU149H, GLU159E, GLU30H, GLU35H, GLU44H, GLY114E, GLY155H, GLY29H, HIS94E, ILE147E, ILE31H, ILE34H, ILE51H, ILE53H, LEU136H, LEU145E, LEU150H, LEU152E, LEU153H, LEU158E, LYS111E, LYS131H, LYS133H, LYS141E, LYS152H, LYS162E, LYS163E, LYS237E, LYS45H, LYS54H, MET107E, PRO38H, PRO55H, SER134H, SER142E, SER154H, SER155E, SER156H, SER95E, THR103E, THR135H, THR56H, TYR100E, TYR132E, TYR93E, VAL151E, VAL32H, VAL37H, VAL40H
• F-G: ALA108F, ALA386G, ARG106F, ASP118F, ASP373G, GLN112F, GLN375G, GLU109F, GLU110F, GLU364G, GLU73F, GLY111F, GLY365G, GLY66F, GLY69F, ILE107F, ILE389G, ILE68F, ILE71F, LYS115F, LYS387G, LYS388G, LYS70F, MET376G, PRO370G, SER372G, SER390G, SER391G, THR113F, THR67F, TYR371G, VAL114F
• G-H: ALA43H, ALA72G, ALA75G, ALA77H, ARG104G, ARG106H, ARG112G, ARG54G, ARG73G, ARG81G, ASN143H, ASN75H, ASP39H, ASP63G, ASP95H, GLN396G, GLN56G, GLN67G, GLN69G, GLN85G, GLU101G, GLU102H, GLU108G, GLU110H, GLU35H, GLU44H, GLU66G, GLU68G, GLU73H, GLU84G, GLU87H, GLU98H, GLY101H, GLY397G, GLY45G, GLY48H, GLY69H, GLY96G, HIS109G, HIS76H, HIS79G, HIS91H, ILE141H, ILE394G, ILE46H, ILE65G, ILE71H, ILE74G, ILE80H, ILE94H, LEU105G, LEU363G, LEU52G, LEU55G, LEU71G, LEU87G, LEU88H, LEU99H, LYS100H, LYS133H, LYS392G, LYS45H, LYS70H, LYS78G, PHE42H, PHE46G, PHE72H, PHE78H, PHE89H, PRO138H, PRO38H, PRO64G, SER142H, SER391G, SER47G, SER76G, SER77G, SER79H, SER95G, THR393G, THR395G, THR74H, THR96H, TRP48G, TRP59G, TRP86G, TYR398G, VAL140H, VAL40H, VAL41H, VAL47H, VAL58G, VAL62G, VAL70G, VAL90G, VAL90H, VAL97H