1LDN

structure of a ternary complex of an allosteric lactate dehydrogenase from bacillus stearothermophilus at 2.5 angstroms resolution

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 186
  • Norm. En. per Res.: -3.6663
• 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	-26.0083	-9.2934	-133.724	-169.0257	69	60	0	6589	0	27	33
A-C	-37.1218	-9.3524	-247.964	-294.4382	106	27	14	10176	1	10	10
A-D	-49.3153	-30.9541	-603.884	-684.1534	191	35	13	24006	4	37	43
B-C	-49.8095	-30.867	-570.484	-651.1605	189	52	12	24139	4	37	44
B-D	-37.0351	-4.3036	-236.777	-278.1157	104	25	13	10303	1	9	10
B-G	0.0	0.0	-0.032	-0.032	4	0	0	8	0	5	1
C-D	-45.9291	-0.7346	-83.3904	-130.054	70	64	0	6529	0	25	33
D-G	-4.5328	-9.8758	-16.7024	-31.111	20	3	0	753	0	14	16
E-F	-23.7937	-5.1722	-123.282	-152.2479	70	60	0	6463	0	25	33
E-G	-52.2718	-10.1415	-231.925	-294.3383	106	32	13	10736	1	12	10
E-H	-34.7327	-30.1443	-578.615	-643.4919	190	46	11	23953	4	35	44
F-G	-37.713	-37.6497	-606.57	-681.9327	186	25	13	23737	4	37	43
F-H	-24.0376	-8.9086	-234.213	-267.1591	107	34	15	10395	2	7	10
G-H	-41.2173	-3.5851	-113.4	-158.2024	65	39	0	6209	0	23	34

Interface residues

• A-B: ALA21A, ALA21B, ALA261A, ALA261B, ALA268A, ALA268B, ALA45A, ALA45B, ALA72B, ARG157A, ARG157B, ARG257A, ARG257B, ARG260A, ARG260B, ARG295A, ARG295B, ASN17A, ASN17B, ASN18A, ASN18B, ASN265A, ASN265B, ASN267A, ASN267B, ASN294A, ASN294B, ASN296A, ASN296B, ASP46A, ASP46B, ASP77A, ASP77B, ASP90A, GLN42B, GLU266A, GLU266B, GLU47A, GLU47B, GLY19A, GLY19B, GLY20A, GLY20B, GLY297A, GLY297B, GLY43A, GLY43B, HIS264A, HIS264B, ILE262A, ILE262B, ILE44A, ILE44B, LEU132A, LEU263A, LEU263B, LYS16A, LYS16B, LYS69B, LYS74A, LYS74B, MET15A, MET15B, PRO73A, PRO73B, PRO75A, PRO75B, VAL76A, VAL76B
• A-C: ALA181A, ALA181C, ALA187A, ALA187C, ALA204A, ALA204C, ALA261C, ALA268A, ALA268C, ALA291C, ARG171A, ARG171C, ARG257A, ARG257C, ARG260A, ARG260C, ARG299A, ARG299C, ASN184A, ASN184C, ASN265A, ASN265C, ASN267A, ASN267C, ASN294C, GLN183A, GLN183C, GLN203A, GLN203C, GLU216A, GLU216C, GLU266A, GLU266C, GLU300A, GLU300C, GLU303A, GLU303C, GLU305A, GLU305C, GLY175A, GLY175C, GLY207A, GLY207C, HIS186A, HIS186C, ILE189A, ILE190A, ILE190C, ILE206A, ILE206C, ILE211A, ILE269A, ILE269C, ILE293A, ILE293C, ILE302A, ILE302C, ILE304A, ILE304C, LEU214A, LEU214C, LEU270A, LEU270C, LEU306A, LEU306C, LYS213A, LYS213C, MET209A, MET209C, PHE170A, PHE170C, PHE178A, PHE178C, PRO182A, PRO182C, PRO210A, PRO210C, PRO290A, PRO290C, PRO73A, PRO73C, SER179A, SER179C, SER202A, SER202C, THR167A, THR167C, THR271A, THR271C, TYR177C, TYR188A, TYR188C, TYR205A, TYR205C, TYR280A, TYR280C, VAL180A, VAL180C, VAL185A, VAL185C, VAL200A, VAL200C, VAL208A, VAL208C, VAL292A, VAL292C
• A-D: ALA168A, ALA168D, ALA181A, ALA181D, ALA187D, ALA236A, ALA236D, ALA237A, ALA237D, ALA246A, ALA246D, ALA252A, ALA252D, ALA256A, ALA256D, ALA28A, ALA28D, ALA33A, ALA33D, ALA38A, ALA38D, ALA58A, ALA58D, ALA62A, ALA62D, ALA72A, ALA72D, ARG169A, ARG169D, ARG171A, ARG171D, ARG257A, ARG257D, ARG260A, ARG260D, ASN17A, ASN17D, ASN184A, ASN184D, ASN232A, ASN232D, ASN41A, ASN41D, ASN54A, ASN54D, ASN66A, ASN66D, ASP166A, ASP166D, ASP235A, ASP235D, ASP61A, ASP61D, ASP64A, ASP64D, ASP77A, ASP77D, GLN183A, GLN183D, GLN239A, GLN239D, GLN42A, GLN42D, GLU176A, GLU176D, GLU242A, GLU242D, GLU55A, GLU55D, GLY175A, GLY175D, GLY245A, GLY245D, GLY250A, GLY250D, GLY254A, GLY254D, GLY29A, GLY29D, GLY32A, GLY32D, GLY43A, GLY43D, GLY60A, GLY60D, GLY68A, GLY68D, HIS186A, HIS186D, HIS67A, HIS67D, ILE164A, ILE164D, ILE240A, ILE240D, ILE241A, ILE241D, ILE251A, ILE251D, ILE269A, ILE269D, ILE44A, ILE44D, ILE59A, ILE59D, ILE78A, ILE78D, LEU165A, LEU165D, LEU173A, LEU173D, LEU255A, LEU255D, LEU270A, LEU270D, LEU39A, LEU39D, LEU50A, LEU50D, LYS16D, LYS243A, LYS243D, LYS244A, LYS244D, LYS57A, LYS57D, LYS69A, LYS69D, LYS74A, LYS74D, MET253A, MET253D, MET40A, MET40D, MET63A, MET63D, PHE170A, PHE170D, PHE172A, PHE172D, PHE30A, PHE30D, PHE37A, PHE37D, PHE65A, PHE65D, PHE71A, PHE71D, PRO182A, PRO182D, PRO73A, PRO73D, PRO75A, PRO75D, SER179A, SER179D, SER34A, SER34D, SER56A, SER56D, THR163A, THR163D, THR167A, THR167D, THR247A, THR247D, THR271A, THR271D, TRP79A, TRP79D, TYR238D, TYR248A, TYR248D, TYR249A, TYR249D, TYR35A, TYR35D, VAL180A, VAL185A, VAL185D, VAL233A, VAL233D, VAL258A, VAL258D, VAL31A, VAL36A, VAL36D, VAL70A, VAL70D, VAL76A, VAL76D
• B-C: ALA168B, ALA168C, ALA181B, ALA181C, ALA236B, ALA236C, ALA237B, ALA237C, ALA246B, ALA246C, ALA252B, ALA252C, ALA256B, ALA256C, ALA28B, ALA28C, ALA33B, ALA33C, ALA38B, ALA38C, ALA58B, ALA58C, ALA62B, ALA62C, ALA72B, ALA72C, ARG169B, ARG169C, ARG171B, ARG171C, ARG257B, ARG257C, ARG260B, ARG260C, ASN17C, ASN184B, ASN184C, ASN232B, ASN232C, ASN41B, ASN41C, ASN54B, ASN54C, ASN66B, ASN66C, ASP166B, ASP166C, ASP235B, ASP235C, ASP61B, ASP61C, ASP64B, ASP64C, ASP77B, ASP77C, GLN183B, GLN183C, GLN239B, GLN239C, GLN42B, GLN42C, GLU176B, GLU176C, GLU242B, GLU242C, GLU55B, GLU55C, GLY175B, GLY175C, GLY245B, GLY245C, GLY250B, GLY250C, GLY254B, GLY254C, GLY29B, GLY29C, GLY32B, GLY32C, GLY43B, GLY43C, GLY60B, GLY60C, GLY68B, GLY68C, HIS67B, HIS67C, ILE164B, ILE164C, ILE240B, ILE240C, ILE241B, ILE241C, ILE251B, ILE251C, ILE269B, ILE269C, ILE44B, ILE44C, ILE59B, ILE59C, ILE78B, ILE78C, LEU165B, LEU165C, LEU173B, LEU173C, LEU255B, LEU255C, LEU270B, LEU270C, LEU39B, LEU39C, LEU50B, LEU50C, LYS16C, LYS243B, LYS243C, LYS244B, LYS244C, LYS57B, LYS57C, LYS69B, LYS69C, LYS74B, LYS74C, MET253B, MET253C, MET40B, MET40C, MET63B, MET63C, PHE170B, PHE170C, PHE172B, PHE172C, PHE30B, PHE30C, PHE37B, PHE37C, PHE65B, PHE65C, PHE71B, PHE71C, PRO182B, PRO182C, PRO73B, PRO73C, PRO75B, PRO75C, SER179B, SER34B, SER34C, SER56B, SER56C, THR163B, THR163C, THR167B, THR167C, THR247B, THR247C, THR271B, THR271C, TRP79B, TRP79C, TYR238B, TYR238C, TYR248B, TYR248C, TYR249B, TYR249C, TYR35B, TYR35C, VAL180B, VAL180C, VAL185B, VAL185C, VAL233B, VAL233C, VAL258B, VAL258C, VAL31B, VAL31C, VAL36B, VAL36C, VAL70B, VAL70C, VAL76B, VAL76C
• B-D: ALA181B, ALA181D, ALA187B, ALA187D, ALA204B, ALA204D, ALA261B, ALA261D, ALA268B, ALA268D, ALA291B, ARG171B, ARG171D, ARG257B, ARG257D, ARG260B, ARG260D, ARG299B, ARG299D, ASN184B, ASN184D, ASN265D, ASN267B, ASN267D, ASN294D, GLN183B, GLN183D, GLN203B, GLN203D, GLU216B, GLU216D, GLU266B, GLU266D, GLU300B, GLU300D, GLU303B, GLU303D, GLU305B, GLU305D, GLY175B, GLY175D, GLY207B, GLY207D, HIS186B, HIS186D, ILE189B, ILE189D, ILE190B, ILE190D, ILE206B, ILE206D, ILE211B, ILE269B, ILE269D, ILE293B, ILE293D, ILE302B, ILE302D, ILE304B, ILE304D, LEU214B, LEU214D, LEU270B, LEU270D, LEU306B, LEU306D, LYS213B, LYS213D, MET209B, MET209D, PHE178B, PHE178D, PRO182B, PRO182D, PRO210B, PRO210D, PRO290B, PRO290D, PRO73B, PRO73D, SER179B, SER179D, SER202B, SER202D, THR167B, THR167D, THR271B, THR271D, TYR188B, TYR188D, TYR205B, TYR205D, TYR280B, TYR280D, VAL180B, VAL180D, VAL185B, VAL185D, VAL200B, VAL200D, VAL208B, VAL208D, VAL292B, VAL292D
• B-G: ARG327G, ASP308B, GLU305B, HIS316G
• C-D: ALA21C, ALA21D, ALA261C, ALA261D, ALA268C, ALA268D, ALA45C, ALA72C, ALA72D, ARG157C, ARG257C, ARG257D, ARG260C, ARG260D, ARG295C, ARG295D, ARG299C, ARG299D, ASN17C, ASN17D, ASN18C, ASN18D, ASN265C, ASN265D, ASN267C, ASN267D, ASN294C, ASN294D, ASN296C, ASN296D, ASP46C, ASP46D, ASP77C, ASP77D, GLN42C, GLN42D, GLU266C, GLU266D, GLU47C, GLU47D, GLY19C, GLY19D, GLY20C, GLY20D, GLY297C, GLY297D, GLY43C, GLY43D, HIS264C, HIS264D, ILE262C, ILE262D, ILE44C, ILE44D, LEU132C, LEU263C, LEU263D, LYS16C, LYS16D, LYS69D, LYS74C, LYS74D, MET15C, MET15D, PRO73C, PRO73D, PRO75C, PRO75D, VAL76C, VAL76D
• D-G: ALA326G, ALA328G, ARG118G, ARG327G, ASP111G, ASP308D, GLU104G, GLU216D, GLU220D, GLU221D, GLY219D, LYS101G, LYS213D, LYS218D, PHE329G, SER217D, SER323G, THR330G, VAL215D, VAL324G
• E-F: ALA21E, ALA21F, ALA261E, ALA261F, ALA268E, ALA268F, ALA45E, ALA45F, ALA72E, ALA72F, ARG157E, ARG157F, ARG257E, ARG257F, ARG260E, ARG260F, ARG295E, ARG295F, ASN17E, ASN17F, ASN18E, ASN18F, ASN265E, ASN265F, ASN267E, ASN267F, ASN294E, ASN294F, ASN296E, ASN296F, ASP46E, ASP46F, ASP77E, ASP77F, GLN42E, GLU266E, GLU266F, GLU47E, GLU47F, GLY19E, GLY19F, GLY20E, GLY20F, GLY297E, GLY297F, GLY43E, GLY43F, HIS264E, HIS264F, ILE262E, ILE262F, ILE44E, ILE44F, LEU132E, LEU263E, LEU263F, LYS16E, LYS16F, LYS69E, LYS69F, LYS74E, LYS74F, MET15E, MET15F, PRO73E, PRO73F, PRO75E, PRO75F, VAL76E, VAL76F
• E-G: ALA181E, ALA181G, ALA187E, ALA187G, ALA204E, ALA204G, ALA261E, ALA261G, ALA268E, ALA268G, ALA291E, ALA291G, ARG171E, ARG171G, ARG257E, ARG257G, ARG260E, ARG260G, ARG299E, ARG299G, ASN184E, ASN184G, ASN265E, ASN267E, ASN267G, ASN294E, GLN183E, GLN183G, GLN203E, GLN203G, GLU176G, GLU216E, GLU216G, GLU266E, GLU266G, GLU300E, GLU300G, GLU303E, GLU303G, GLU305E, GLU305G, GLY175E, GLY175G, GLY207E, GLY207G, HIS186E, HIS186G, ILE190E, ILE190G, ILE206E, ILE206G, ILE211G, ILE269E, ILE269G, ILE293E, ILE293G, ILE302E, ILE302G, ILE304E, ILE304G, LEU214E, LEU214G, LEU270E, LEU270G, LEU306E, LEU306G, LYS213E, LYS213G, MET209E, MET209G, PHE170E, PHE170G, PHE178E, PHE178G, PRO182E, PRO182G, PRO210E, PRO210G, PRO290E, PRO290G, PRO73E, PRO73G, SER179E, SER179G, SER202E, SER202G, THR167G, THR271E, THR271G, TYR177G, TYR188E, TYR188G, TYR205E, TYR205G, TYR280E, TYR280G, VAL180E, VAL180G, VAL185E, VAL185G, VAL200E, VAL200G, VAL208E, VAL208G, VAL292E, VAL292G
• E-H: ALA168E, ALA168H, ALA181E, ALA181H, ALA187E, ALA187H, ALA236E, ALA236H, ALA237E, ALA237H, ALA246E, ALA246H, ALA252E, ALA252H, ALA256E, ALA256H, ALA28E, ALA28H, ALA33E, ALA33H, ALA38E, ALA38H, ALA58E, ALA58H, ALA62E, ALA62H, ALA72E, ALA72H, ARG169E, ARG169H, ARG171E, ARG171H, ARG257E, ARG257H, ARG260E, ARG260H, ASN17H, ASN184E, ASN184H, ASN232E, ASN232H, ASN41E, ASN41H, ASN54E, ASN54H, ASN66E, ASN66H, ASP166E, ASP166H, ASP235E, ASP235H, ASP61E, ASP61H, ASP64E, ASP64H, ASP77E, ASP77H, GLN183E, GLN183H, GLN239E, GLN239H, GLN42E, GLN42H, GLU176E, GLU176H, GLU242E, GLU242H, GLU55E, GLU55H, GLY175E, GLY175H, GLY245E, GLY245H, GLY250E, GLY250H, GLY254E, GLY254H, GLY29E, GLY29H, GLY32E, GLY32H, GLY43E, GLY43H, GLY60E, GLY60H, GLY68E, GLY68H, HIS186E, HIS186H, HIS67E, HIS67H, ILE164E, ILE164H, ILE240E, ILE240H, ILE241E, ILE241H, ILE251E, ILE251H, ILE269H, ILE44E, ILE44H, ILE59E, ILE59H, ILE78E, ILE78H, LEU165E, LEU165H, LEU173E, LEU173H, LEU255E, LEU255H, LEU270E, LEU270H, LEU39E, LEU39H, LEU50E, LEU50H, LYS16E, LYS16H, LYS243E, LYS243H, LYS244E, LYS244H, LYS57E, LYS57H, LYS69E, LYS69H, LYS74E, LYS74H, MET253E, MET253H, MET40E, MET40H, MET63E, MET63H, PHE170E, PHE170H, PHE172E, PHE172H, PHE30E, PHE30H, PHE37E, PHE37H, PHE65E, PHE65H, PHE71E, PHE71H, PRO182E, PRO182H, PRO73E, PRO73H, PRO75E, PRO75H, SER34E, SER34H, SER56E, SER56H, THR163E, THR163H, THR167E, THR167H, THR247E, THR247H, THR271E, THR271H, TRP79E, TRP79H, TYR238E, TYR238H, TYR248E, TYR248H, TYR249E, TYR249H, TYR35E, TYR35H, VAL180H, VAL185E, VAL185H, VAL233E, VAL233H, VAL258E, VAL258H, VAL31E, VAL36E, VAL36H, VAL70E, VAL70H, VAL76E, VAL76H
• F-G: ALA168F, ALA168G, ALA181F, ALA181G, ALA187F, ALA236F, ALA236G, ALA237F, ALA237G, ALA246F, ALA246G, ALA252F, ALA252G, ALA256F, ALA256G, ALA28F, ALA28G, ALA33F, ALA33G, ALA38F, ALA38G, ALA58F, ALA58G, ALA62F, ALA62G, ALA72F, ALA72G, ARG169F, ARG169G, ARG171F, ARG171G, ARG257F, ARG257G, ARG260F, ARG260G, ASN17F, ASN17G, ASN184F, ASN184G, ASN232F, ASN232G, ASN41F, ASN41G, ASN54F, ASN54G, ASN66F, ASN66G, ASP166F, ASP166G, ASP235F, ASP235G, ASP61F, ASP61G, ASP64F, ASP64G, ASP77F, ASP77G, GLN183F, GLN183G, GLN239F, GLN239G, GLN42F, GLN42G, GLU176F, GLU176G, GLU242F, GLU242G, GLU55F, GLU55G, GLY175F, GLY175G, GLY245F, GLY245G, GLY250F, GLY250G, GLY254F, GLY254G, GLY29F, GLY29G, GLY32F, GLY32G, GLY43F, GLY43G, GLY60F, GLY60G, GLY68F, GLY68G, HIS186F, HIS67F, HIS67G, ILE164F, ILE164G, ILE240F, ILE240G, ILE241F, ILE241G, ILE251F, ILE251G, ILE44F, ILE44G, ILE59F, ILE59G, ILE78F, ILE78G, LEU165F, LEU165G, LEU173F, LEU173G, LEU255F, LEU255G, LEU270F, LEU270G, LEU39F, LEU39G, LEU50F, LEU50G, LYS243F, LYS243G, LYS244F, LYS244G, LYS57F, LYS57G, LYS69F, LYS69G, LYS74F, LYS74G, MET253F, MET253G, MET40F, MET40G, MET63F, MET63G, PHE170F, PHE170G, PHE172F, PHE172G, PHE30F, PHE30G, PHE37F, PHE37G, PHE65F, PHE65G, PHE71F, PHE71G, PRO182F, PRO182G, PRO73F, PRO73G, PRO75F, PRO75G, SER179G, SER34F, SER34G, SER56F, SER56G, THR163F, THR163G, THR167F, THR167G, THR247F, THR247G, THR271F, THR271G, TRP79F, TRP79G, TYR238G, TYR248F, TYR248G, TYR249F, TYR249G, TYR35F, TYR35G, VAL180G, VAL185F, VAL185G, VAL233F, VAL233G, VAL258F, VAL258G, VAL31F, VAL36F, VAL36G, VAL70F, VAL70G, VAL76F, VAL76G
• F-H: ALA181F, ALA181H, ALA187F, ALA187H, ALA204F, ALA204H, ALA261F, ALA261H, ALA268F, ALA268H, ALA291H, ARG171F, ARG171H, ARG257F, ARG257H, ARG260F, ARG260H, ARG299F, ARG299H, ASN184F, ASN184H, ASN265F, ASN265H, ASN267F, ASN267H, ASN294H, GLN183F, GLN183H, GLN203F, GLN203H, GLU216F, GLU216H, GLU266F, GLU266H, GLU300F, GLU300H, GLU303F, GLU303H, GLU305F, GLU305H, GLY175F, GLY175H, GLY207F, GLY207H, HIS186F, HIS186H, ILE189H, ILE190F, ILE190H, ILE206F, ILE206H, ILE211F, ILE211H, ILE269F, ILE269H, ILE293F, ILE293H, ILE302F, ILE302H, ILE304F, ILE304H, LEU214F, LEU214H, LEU270F, LEU270H, LEU306F, LEU306H, LYS213F, LYS213H, MET209F, MET209H, PHE170F, PHE170H, PHE178F, PHE178H, PRO182F, PRO182H, PRO210F, PRO210H, PRO290F, PRO290H, PRO73F, PRO73H, SER179F, SER179H, SER202F, SER202H, THR167H, THR271F, THR271H, TYR177F, TYR188F, TYR188H, TYR205F, TYR205H, TYR280F, TYR280H, VAL180F, VAL180H, VAL185F, VAL185H, VAL200F, VAL200H, VAL208F, VAL208H, VAL292F, VAL292H
• G-H: ALA21G, ALA21H, ALA261G, ALA261H, ALA268G, ALA268H, ALA45G, ALA45H, ALA72G, ALA72H, ARG157G, ARG257G, ARG257H, ARG260G, ARG260H, ARG295G, ARG295H, ASN17G, ASN17H, ASN18G, ASN18H, ASN265G, ASN265H, ASN267G, ASN267H, ASN294G, ASN294H, ASN296G, ASN296H, ASP46G, ASP46H, ASP77G, ASP77H, GLN42H, GLU266G, GLU266H, GLU47G, GLU47H, GLY19G, GLY19H, GLY20G, GLY20H, GLY297H, GLY43G, GLY43H, HIS264G, HIS264H, ILE262G, ILE262H, ILE44G, ILE44H, LEU263G, LEU263H, LYS16G, LYS16H, LYS74G, LYS74H, MET15G, MET15H, PRO73G, PRO73H, PRO75G, PRO75H, VAL76G, VAL76H