1XRH

crystal structure of ureidoglycolate dehydrogenase from escherichia coli

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 261
  • Norm. En. per Res.: -3.3727
• Hub Node: B(4)

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	-96.1311	-24.7004	-748.493	-869.3245	266	26	34	31135	1	12	10
A-D	-20.8331	6.6309	-25.7965	-39.9987	20	3	0	793	1	5	4
B-C	-5.2781	5.4165	-19.7113	-19.5729	17	3	0	754	0	5	5
B-D	0.0	0.0	-16.6891	-16.6891	39	3	0	912	0	5	2
B-F	-35.1533	-13.6526	-202.082	-250.8879	138	12	2	9870	6	84	76
B-H	-35.9287	-21.4775	-82.8263	-140.2325	45	10	0	3911	3	20	14
C-D	-108.3405	-8.1858	-735.072	-851.5983	263	26	35	30746	0	11	9
D-F	-31.3329	7.4454	-58.1796	-82.0671	40	4	0	2827	0	15	15
D-G	0.0	0.0	-0.0012	-0.0012	4	0	0	3	0	0	0
D-H	-12.6101	-17.6695	-125.777	-156.0566	104	12	1	6259	2	73	66
E-F	-92.7853	-38.6652	-742.394	-873.8444	263	25	31	30991	3	12	10
E-H	0.0	0.0	-7.0225	-7.0225	19	4	0	729	0	3	4
F-G	-7.022	-4.2512	-22.6965	-33.9696	20	5	0	962	0	4	7
F-H	-2.3312	0.0	-26.092	-28.4232	49	9	0	1904	0	5	2
G-H	-88.9354	-42.7007	-748.643	-880.279	261	23	34	31101	3	12	10

Interface residues

• A-B: ALA103A, ALA103B, ALA109A, ALA109B, ALA152A, ALA152B, ALA164A, ALA164B, ALA165A, ALA165B, ALA178A, ALA178B, ALA183A, ALA183B, ALA222A, ALA222B, ALA223A, ALA223B, ALA294A, ALA294B, ALA298A, ALA298B, ALA79A, ALA79B, ARG248A, ARG248B, ARG282A, ARG282B, ARG290A, ARG290B, ASN106A, ASN106B, ASN206A, ASN206B, ASN271A, ASN271B, ASN273A, ASN273B, ASN293A, ASN293B, ASN302A, ASN302B, ASP176A, ASP176B, ASP204A, ASP204B, ASP235A, ASP235B, ASP310A, CYS77A, CYS77B, GLN105A, GLN105B, GLN182A, GLN182B, GLN249A, GLN249B, GLN283A, GLN283B, GLN287A, GLN287B, GLN303A, GLN303B, GLN309A, GLN309B, GLU153A, GLU153B, GLU291A, GLU291B, GLU72A, GLU72B, GLU73A, GLU73B, GLY107A, GLY107B, GLY112A, GLY112B, GLY136A, GLY136B, GLY150A, GLY150B, GLY151A, GLY151B, GLY167A, GLY167B, GLY207A, GLY207B, GLY224A, GLY224B, GLY227A, GLY227B, GLY229A, GLY229B, GLY239A, GLY239B, GLY243A, GLY243B, GLY247A, GLY247B, GLY300A, GLY300B, GLY308A, GLY308B, GLY75A, GLY75B, HIS267A, HIS267B, HIS284A, HIS284B, HIS82A, HIS82B, ILE113A, ILE113B, ILE135A, ILE135B, ILE137A, ILE137B, ILE154A, ILE154B, ILE234A, ILE234B, ILE268A, ILE268B, ILE270A, ILE270B, ILE295A, ILE295B, ILE80A, ILE80B, LEU161A, LEU161B, LEU173A, LEU173B, LEU220A, LEU220B, LEU230A, LEU230B, LEU237A, LEU237B, LEU241A, LEU241B, LEU242A, LEU242B, LEU244A, LEU244B, LEU266A, LEU266B, LEU280A, LEU280B, LEU285A, LEU285B, LEU292A, LEU292B, LEU81A, LEU81B, LYS205A, LYS205B, LYS226A, LYS226B, PHE134A, PHE134B, PHE149A, PHE149B, PHE163A, PHE163B, PHE175A, PHE175B, PHE246A, PHE246B, PHE274A, PHE274B, PHE275A, PHE275B, PHE281A, PHE281B, PHE301A, PHE301B, PRO148A, PRO148B, PRO160A, PRO160B, PRO166A, PRO166B, PRO209A, PRO209B, PRO221A, PRO221B, PRO225A, PRO225B, PRO245A, PRO245B, PRO272A, PRO272B, PRO297A, PRO297B, PRO299A, PRO299B, PRO307A, PRO307B, PRO76A, PRO76B, SER114A, SER114B, SER238A, SER238B, SER276A, SER276B, SER277A, SER277B, SER278A, SER278B, SER286A, SER286B, SER78A, SER78B, THR102A, THR102B, THR158A, THR158B, THR174B, THR179A, THR179B, THR180A, THR180B, THR200A, THR200B, THR288A, THR288B, THR296A, THR296B, THR74A, THR74B, TYR155A, TYR155B, TYR156A, TYR156B, TYR228A, TYR228B, TYR305A, TYR305B, TYR306A, TYR306B, VAL108A, VAL108B, VAL110A, VAL110B, VAL111A, VAL111B, VAL146A, VAL146B, VAL147A, VAL147B, VAL181A, VAL181B, VAL203A, VAL203B, VAL208A, VAL208B, VAL236A, VAL236B, VAL240A, VAL240B, VAL269A, VAL269B, VAL304A, VAL304B
• A-D: ALA152A, ALA190D, ARG193D, ASN206A, ASP199D, ASP204A, ASP212D, GLU153A, GLY207A, GLY300D, ILE197D, LYS205A, PHE149A, PRO198D, PRO213D, SER196D, THR200D, THR211D, TRP201D, VAL208A
• B-C: ALA152C, ALA190B, ALA215C, ASN206C, ASP199B, ASP204C, GLY207C, GLY300B, ILE197B, LYS205C, PHE149C, PRO198B, PRO213B, SER196B, THR211B, TRP201B, VAL208C
• B-D: ALA190D, ALA294B, ALA298B, ALA298D, ARG193B, ARG193D, ASN302B, ASN302D, ASP199B, ASP310D, GLU321B, GLU321D, GLY300B, GLY300D, ILE197B, ILE197D, ILE295B, LYS186D, LYS314B, LYS314D, LYS317B, LYS317D, PHE301B, PHE301D, PRO198B, PRO198D, PRO297B, PRO297D, PRO299B, PRO299D, SER196B, SER196D, THR296B, THR296D, TRP201B, TRP201D, TYR305D, VAL304B, VAL320D
• B-F: ALA103B, ALA103F, ALA130B, ALA130F, ALA132B, ALA132F, ALA28B, ALA29B, ALA29F, ALA318B, ALA318F, ALA319B, ALA319F, ALA32B, ALA99F, ARG131B, ARG131F, ARG25B, ARG25F, ARG282B, ARG282F, ARG290B, ARG290F, ARG316B, ARG316F, ARG7B, ARG7F, ASN106F, ASN271B, ASN271F, ASN273B, ASN273F, ASN293B, ASN293F, ASP170B, ASP170F, ASP312B, ASP312F, GLN104B, GLN104F, GLN105B, GLN105F, GLN127B, GLN127F, GLN128B, GLN128F, GLN12B, GLN12F, GLN283B, GLN283F, GLN287F, GLN309B, GLN309F, GLN315B, GLN315F, GLU15B, GLU15F, GLU168B, GLU168F, GLU171B, GLU171F, GLU26B, GLU26F, GLU279B, GLU279F, GLU291F, GLU321B, GLU321F, GLU33B, GLU33F, GLU8B, GLU8F, GLU97B, GLU97F, GLY107F, GLY133B, GLY133F, GLY167B, GLY167F, GLY169B, GLY169F, HIS11B, HIS11F, HIS27B, HIS27F, HIS284F, HIS98B, HIS98F, ILE100B, ILE100F, ILE172B, ILE172F, ILE313B, ILE313F, LEU280B, LEU280F, LYS101B, LYS101F, LYS24B, LYS314B, LYS314F, LYS317B, LYS317F, LYS93B, LYS93F, PHE134B, PHE134F, PHE274B, PHE274F, PHE281F, PRO166B, PRO166F, SER277B, SER277F, SER278B, SER278F, SER286B, SER286F, SER6B, THR102B, THR102F, THR30B, THR30F, THR9B, TYR124B, TYR124F, TYR306B, TYR306F, TYR37B, TYR37F, VAL31B, VAL320B, VAL320F, VAL34B, VAL36B, VAL36F, VAL90B, VAL90F
• B-H: ALA318B, ALA318H, ASP327B, ASP327H, ASP328B, ASP328H, GLN331B, GLN331H, GLU321B, GLU321H, GLU324B, GLU324H, GLU8H, GLY322B, GLY322H, ILE323B, ILE323H, ILE325B, ILE325H, ILE334B, ILE334H, ILE5B, ILE5H, LEU13B, LEU13H, LYS317B, LYS317H, LYS4B, LYS4H, SER2B, SER2H, SER335H, SER3B, SER3H, SER6B, SER6H, THR9B, THR9H, TYR330B, TYR330H, TYR332B, TYR332H, VAL320B, VAL320H, VAL326H
• C-D: ALA103C, ALA109C, ALA109D, ALA152C, ALA152D, ALA162C, ALA164C, ALA164D, ALA165C, ALA165D, ALA178C, ALA178D, ALA183C, ALA183D, ALA222C, ALA222D, ALA223C, ALA223D, ALA294C, ALA294D, ALA298C, ALA298D, ALA79C, ALA79D, ARG248C, ARG248D, ARG282C, ARG282D, ARG290C, ARG290D, ASN106C, ASN106D, ASN206C, ASN206D, ASN271C, ASN271D, ASN273C, ASN273D, ASN293C, ASN293D, ASN302C, ASN302D, ASP176C, ASP176D, ASP204C, ASP204D, ASP235C, ASP235D, ASP310C, ASP310D, CYS77C, CYS77D, GLN105C, GLN105D, GLN182C, GLN182D, GLN249C, GLN249D, GLN283C, GLN283D, GLN287C, GLN287D, GLN303C, GLN303D, GLN309C, GLN309D, GLU153C, GLU153D, GLU291C, GLU291D, GLU72C, GLU72D, GLU73C, GLU73D, GLY107C, GLY107D, GLY112C, GLY112D, GLY136C, GLY136D, GLY150C, GLY150D, GLY151C, GLY151D, GLY167C, GLY167D, GLY207C, GLY207D, GLY224C, GLY224D, GLY227C, GLY227D, GLY229C, GLY229D, GLY239C, GLY239D, GLY243C, GLY243D, GLY247C, GLY247D, GLY300D, GLY308C, GLY308D, GLY75C, GLY75D, HIS267C, HIS267D, HIS284C, HIS284D, HIS82C, HIS82D, ILE113C, ILE113D, ILE135C, ILE135D, ILE137C, ILE137D, ILE154C, ILE154D, ILE234C, ILE234D, ILE268C, ILE268D, ILE270C, ILE270D, ILE295C, ILE295D, ILE80C, ILE80D, LEU161C, LEU161D, LEU173C, LEU173D, LEU220C, LEU220D, LEU230C, LEU230D, LEU237C, LEU237D, LEU241C, LEU241D, LEU242C, LEU242D, LEU244C, LEU244D, LEU266C, LEU266D, LEU280C, LEU280D, LEU285C, LEU285D, LEU292C, LEU292D, LEU81C, LEU81D, LYS205C, LYS205D, LYS226C, LYS226D, PHE134C, PHE134D, PHE149C, PHE149D, PHE163C, PHE163D, PHE175C, PHE175D, PHE246C, PHE246D, PHE274C, PHE274D, PHE275C, PHE275D, PHE281C, PHE281D, PHE301C, PHE301D, PRO148C, PRO148D, PRO160C, PRO160D, PRO166C, PRO166D, PRO209C, PRO209D, PRO221C, PRO221D, PRO225C, PRO225D, PRO245C, PRO245D, PRO272C, PRO272D, PRO297C, PRO297D, PRO299C, PRO299D, PRO307C, PRO307D, PRO76C, PRO76D, SER114C, SER114D, SER238C, SER238D, SER276C, SER276D, SER277C, SER277D, SER278C, SER278D, SER286C, SER286D, SER78C, SER78D, THR102C, THR102D, THR158C, THR158D, THR179C, THR179D, THR180C, THR180D, THR288C, THR288D, THR296C, THR296D, THR74C, THR74D, TYR155C, TYR155D, TYR156C, TYR156D, TYR228C, TYR228D, TYR305C, TYR305D, TYR306C, TYR306D, VAL108C, VAL108D, VAL110C, VAL110D, VAL111C, VAL111D, VAL146C, VAL146D, VAL147C, VAL147D, VAL181C, VAL181D, VAL203C, VAL203D, VAL208C, VAL208D, VAL236C, VAL236D, VAL240C, VAL240D, VAL269C, VAL269D, VAL304C, VAL304D
• D-F: ASP327D, ASP327F, ASP328D, ASP328F, GLN331D, GLN331F, GLU321D, GLU321F, GLU324D, GLU324F, GLY322D, GLY322F, ILE323D, ILE323F, ILE325D, ILE325F, ILE334D, ILE334F, ILE5D, ILE5F, LEU13F, LYS317D, LYS4D, LYS4F, SER2D, SER2F, SER335D, SER335F, SER3D, SER3F, SER6D, SER6F, THR9D, THR9F, TYR330D, TYR330F, VAL320D, VAL320F, VAL326D, VAL326F
• D-G: ARG248G, ARG25D, GLN12D, GLN249G
• D-H: ALA132D, ALA132H, ALA28D, ALA294H, ALA29D, ALA29H, ALA318D, ALA318H, ALA319D, ALA319H, ALA32D, ARG131D, ARG131H, ARG25D, ARG282D, ARG282H, ARG290D, ARG290H, ARG316D, ARG316H, ARG7D, ARG7H, ASN16D, ASN273H, ASN293H, ASP170D, ASP170H, ASP312D, ASP312H, GLN104D, GLN104H, GLN105D, GLN105H, GLN127D, GLN128D, GLN12D, GLN283H, GLN287H, GLN303H, GLN309H, GLN315D, GLN315H, GLU15D, GLU168D, GLU168H, GLU171D, GLU171H, GLU26D, GLU26H, GLU279D, GLU279H, GLU291H, GLU321D, GLU321H, GLU33D, GLU33H, GLU8D, GLU8H, GLU97D, GLU97H, GLY167H, GLY169D, GLY169H, GLY322D, HIS11D, HIS11H, HIS27D, HIS284H, ILE100D, ILE100H, ILE172D, ILE172H, ILE313D, ILE313H, LEU10D, LEU13D, LEU280H, LYS101D, LYS101H, LYS24D, LYS314D, LYS314H, LYS317D, LYS317H, LYS93D, LYS93H, PHE134H, PRO166H, SER278H, SER286H, SER6D, THR30D, THR9D, TYR124D, TYR124H, TYR306H, TYR37D, TYR37H, VAL31D, VAL320D, VAL320H, VAL34D, VAL36D, VAL90D
• E-F: ALA103E, ALA103F, ALA109E, ALA109F, ALA152E, ALA152F, ALA164E, ALA164F, ALA165E, ALA165F, ALA178E, ALA178F, ALA183E, ALA183F, ALA222E, ALA222F, ALA223E, ALA223F, ALA294E, ALA294F, ALA298E, ALA298F, ALA79E, ALA79F, ARG248E, ARG248F, ARG282E, ARG282F, ARG290E, ARG290F, ASN106E, ASN106F, ASN206E, ASN206F, ASN271E, ASN271F, ASN273E, ASN273F, ASN293E, ASN293F, ASN302E, ASN302F, ASP176E, ASP176F, ASP204E, ASP204F, ASP235E, ASP235F, ASP310E, CYS77E, CYS77F, GLN105E, GLN105F, GLN182E, GLN182F, GLN249E, GLN249F, GLN283E, GLN283F, GLN287E, GLN287F, GLN303E, GLN303F, GLN309E, GLN309F, GLU153E, GLU153F, GLU291E, GLU291F, GLU72E, GLU72F, GLU73E, GLU73F, GLY107E, GLY107F, GLY112E, GLY112F, GLY136E, GLY136F, GLY150E, GLY150F, GLY151E, GLY151F, GLY167E, GLY167F, GLY207E, GLY207F, GLY224E, GLY224F, GLY227E, GLY227F, GLY229E, GLY229F, GLY239E, GLY239F, GLY243E, GLY243F, GLY247E, GLY247F, GLY300E, GLY300F, GLY308E, GLY308F, GLY75E, GLY75F, HIS267E, HIS267F, HIS284E, HIS284F, HIS82E, HIS82F, ILE113E, ILE113F, ILE135E, ILE135F, ILE137E, ILE137F, ILE154E, ILE154F, ILE234E, ILE234F, ILE268E, ILE268F, ILE270E, ILE270F, ILE295E, ILE295F, ILE80E, ILE80F, LEU161E, LEU161F, LEU173E, LEU173F, LEU220E, LEU220F, LEU230E, LEU230F, LEU237E, LEU237F, LEU241E, LEU241F, LEU242E, LEU242F, LEU244E, LEU244F, LEU266E, LEU266F, LEU280E, LEU280F, LEU285E, LEU285F, LEU292E, LEU292F, LEU81E, LEU81F, LYS205E, LYS205F, LYS226E, LYS226F, PHE134E, PHE134F, PHE149E, PHE149F, PHE163E, PHE163F, PHE175E, PHE175F, PHE246E, PHE246F, PHE274E, PHE274F, PHE275E, PHE275F, PHE281E, PHE281F, PHE301E, PHE301F, PRO148E, PRO148F, PRO160E, PRO160F, PRO166E, PRO166F, PRO209E, PRO209F, PRO221E, PRO221F, PRO225E, PRO225F, PRO245E, PRO245F, PRO272E, PRO272F, PRO297E, PRO297F, PRO299E, PRO299F, PRO307E, PRO307F, PRO76E, PRO76F, SER114E, SER114F, SER238E, SER238F, SER276E, SER276F, SER277E, SER277F, SER278E, SER278F, SER286E, SER286F, SER78E, SER78F, THR102E, THR102F, THR158E, THR158F, THR179E, THR179F, THR180E, THR180F, THR288E, THR288F, THR296E, THR296F, THR74E, THR74F, TYR155E, TYR155F, TYR156E, TYR156F, TYR228E, TYR228F, TYR305E, TYR305F, TYR306E, TYR306F, VAL108E, VAL108F, VAL110E, VAL110F, VAL111E, VAL111F, VAL146E, VAL146F, VAL147E, VAL147F, VAL181E, VAL181F, VAL203E, VAL203F, VAL208E, VAL208F, VAL236E, VAL236F, VAL240E, VAL240F, VAL269E, VAL269F, VAL304E, VAL304F
• E-H: ALA152E, ALA190H, ARG193H, ASN194H, ASN206E, ASP199H, ASP204E, ASP212H, GLU153E, GLY207E, ILE197H, LYS205E, PHE214H, PRO198H, PRO209E, PRO213H, SER196H, THR211H, VAL208E
• F-G: ALA152G, ALA190F, ALA215G, ARG191F, ARG193F, ASN194F, ASN206G, ASP189F, ASP204G, GLY207G, ILE197F, LYS205G, PHE214F, PRO198F, PRO209G, SER192F, SER196F, THR210G, THR211G, VAL208G
• F-H: ALA190F, ALA190H, ALA294F, ALA298F, ALA298H, ARG193F, ARG193H, ASN194H, ASN293F, ASN302F, ASN302H, ASP189F, ASP199H, GLN303F, GLN303H, GLU321F, GLU321H, GLU324F, GLY300F, GLY300H, HIS44F, ILE197H, ILE295F, LYS186F, LYS186H, LYS314F, LYS317F, LYS317H, LYS4F, LYS4H, PHE301F, PHE301H, PRO198H, PRO213H, PRO297F, PRO297H, PRO299F, PRO299H, SER192H, SER196F, SER196H, SER2F, THR211H, THR296F, THR296H, TRP201F, TRP201H, VAL304F, VAL320F
• G-H: ALA103H, ALA109G, ALA109H, ALA152G, ALA152H, ALA164G, ALA164H, ALA165G, ALA165H, ALA178G, ALA178H, ALA183G, ALA183H, ALA222G, ALA222H, ALA223G, ALA223H, ALA294G, ALA294H, ALA298G, ALA298H, ALA79G, ALA79H, ARG248G, ARG248H, ARG282G, ARG282H, ARG290G, ARG290H, ASN106G, ASN106H, ASN206G, ASN206H, ASN271G, ASN271H, ASN273G, ASN273H, ASN293G, ASN293H, ASN302G, ASN302H, ASP176G, ASP176H, ASP204G, ASP204H, ASP235G, ASP235H, ASP310G, ASP310H, CYS77G, CYS77H, GLN105G, GLN105H, GLN182G, GLN182H, GLN249G, GLN249H, GLN283G, GLN283H, GLN287G, GLN287H, GLN303G, GLN303H, GLN309G, GLN309H, GLN311G, GLU153G, GLU153H, GLU291G, GLU291H, GLU72G, GLU72H, GLU73G, GLU73H, GLY107G, GLY107H, GLY112G, GLY112H, GLY136G, GLY136H, GLY150G, GLY150H, GLY151G, GLY151H, GLY167H, GLY207G, GLY207H, GLY224G, GLY224H, GLY227G, GLY227H, GLY229G, GLY229H, GLY239G, GLY239H, GLY243G, GLY243H, GLY247G, GLY247H, GLY300G, GLY300H, GLY308G, GLY308H, GLY75G, GLY75H, HIS267G, HIS267H, HIS284G, HIS284H, HIS82G, HIS82H, ILE113G, ILE113H, ILE135G, ILE135H, ILE137G, ILE137H, ILE154G, ILE154H, ILE234G, ILE234H, ILE268G, ILE268H, ILE270G, ILE270H, ILE295G, ILE295H, ILE80G, ILE80H, LEU161G, LEU161H, LEU173G, LEU173H, LEU220G, LEU220H, LEU230G, LEU230H, LEU237G, LEU237H, LEU241G, LEU241H, LEU242G, LEU242H, LEU244G, LEU244H, LEU266G, LEU266H, LEU280G, LEU280H, LEU285G, LEU285H, LEU292G, LEU292H, LEU81G, LEU81H, LYS205G, LYS205H, LYS226G, LYS226H, PHE134G, PHE134H, PHE149G, PHE149H, PHE163G, PHE163H, PHE175G, PHE175H, PHE246G, PHE246H, PHE274G, PHE274H, PHE275G, PHE275H, PHE281G, PHE281H, PHE301G, PHE301H, PRO148G, PRO148H, PRO160G, PRO160H, PRO166G, PRO166H, PRO209G, PRO209H, PRO221G, PRO221H, PRO225G, PRO225H, PRO245G, PRO245H, PRO272G, PRO272H, PRO297G, PRO297H, PRO299G, PRO299H, PRO307G, PRO307H, PRO76G, PRO76H, SER114G, SER114H, SER238H, SER276G, SER276H, SER277G, SER277H, SER278G, SER278H, SER286G, SER286H, SER78G, SER78H, THR102G, THR102H, THR158H, THR179G, THR179H, THR180G, THR180H, THR288G, THR288H, THR296G, THR296H, THR74G, THR74H, TYR155G, TYR155H, TYR156G, TYR156H, TYR228G, TYR228H, TYR305G, TYR305H, TYR306G, TYR306H, VAL108G, VAL108H, VAL110G, VAL110H, VAL111G, VAL111H, VAL146G, VAL146H, VAL147G, VAL147H, VAL181G, VAL181H, VAL203G, VAL203H, VAL208G, VAL208H, VAL236G, VAL236H, VAL240G, VAL240H, VAL269G, VAL269H, VAL304G, VAL304H