2QDK

x-ray structure of the unliganded uridine phosphorylase from salmonella typhimurium at 1.62a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 26
  • Norm. En. per Res.: -3.9416
• Hub Node: A(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	-21.0904	-39.1957	-34.2015	-94.4876	25	3	0	1383	2	9	9
A-D	-95.0284	28.1924	-610.692	-677.528	196	11	11	22881	0	58	54
A-E	-20.5456	-2.1795	-298.155	-320.8802	117	2	14	12032	1	9	15
A-F	-15.7923	-36.7012	-38.0971	-90.5906	26	5	0	1384	2	9	10
B-C	-22.2664	-2.4942	-289.511	-314.2716	117	6	13	11732	0	12	15
B-E	-79.6371	10.0473	-571.658	-641.2478	184	15	10	21794	0	53	47
B-F	-29.1737	-37.8099	-35.4991	-102.4827	26	4	0	1368	2	9	10
C-D	-26.5022	-37.4152	-32.4333	-96.3507	25	3	0	1340	2	9	10
C-E	-19.3057	-36.0619	-33.3973	-88.7649	27	3	0	1467	2	9	10
C-F	-86.9202	18.945	-609.624	-677.5991	196	16	11	23018	0	58	55
D-E	-5.7993	-49.526	-39.8385	-95.1638	27	3	0	1442	3	9	10
D-F	-20.6265	-0.1666	-282.977	-303.7702	113	2	12	11592	0	9	15

Interface residues

• A-B: ALA189A, ARG175B, ARG178A, ARG178B, ARG179A, ARG179B, GLN188A, GLU127A, GLU167A, GLU185A, GLU186A, GLY182A, GLY191A, HIS122B, LYS181A, LYS181B, MET184A, MET190A, PHE180A, SER173B, SER183A, TRP187A, VAL176B, VAL177A, VAL177B
• A-D: ALA119A, ALA119D, ALA124A, ALA124D, ALA207A, ALA207D, ALA231A, ALA77A, ALA77D, ALA82A, ALA82D, ARG115A, ARG115D, ARG168A, ARG168D, ARG175A, ARG175D, ARG178A, ARG178D, ARG179A, ARG179D, ARG30A, ARG30D, ARG48A, ARG48D, ARG87A, ARG87D, ARG91A, ARG91D, ASN230D, ASP117A, ASP117D, ASP160A, ASP160D, ASP170A, ASP170D, ASP27A, ASP27D, ASP5A, ASP5D, CYS206A, CYS206D, GLN166A, GLN166D, GLN209A, GLN209D, GLN226D, GLN83A, GLN83D, GLU167A, GLU167D, GLU198A, GLU198D, GLU227D, GLU238A, GLU29A, GLU29D, GLU49A, GLU49D, GLU79A, GLU79D, GLU80A, GLU80D, GLY118A, GLY118D, GLY165A, GLY165D, GLY174A, GLY174D, GLY210A, GLY210D, GLY26A, GLY26D, GLY68A, GLY68D, GLY70A, GLY70D, GLY71A, GLY71D, GLY85A, GLY85D, GLY93A, GLY93D, HIS122A, HIS122D, HIS47A, HIS47D, HIS8A, HIS8D, ILE220A, ILE220D, ILE228D, ILE69A, ILE69D, ILE76A, ILE76D, ILE86A, ILE86D, LEU116A, LEU116D, LEU121A, LEU121D, LEU211A, LEU211D, LEU81A, LEU81D, LEU84A, LEU84D, LEU9A, LEU9D, LYS13A, LYS13D, MET126A, MET126D, MET197A, MET197D, MET205A, MET205D, MET234A, PHE123A, PHE123D, PHE128A, PHE128D, PHE162A, PHE162D, PHE180A, PHE180D, PHE50A, PHE50D, PHE7A, PHE7D, PHE89A, PHE89D, PRO125A, PRO125D, PRO164A, PRO164D, PRO229D, PRO25A, PRO25D, PRO28A, PRO28D, PRO72A, PRO72D, SER120A, SER120D, SER158A, SER158D, SER159A, SER159D, SER173A, SER173D, SER208A, SER208D, SER46A, SER46D, SER4A, SER66A, SER66D, SER73A, SER73D, SER75A, SER75D, THR161A, THR161D, THR171A, THR171D, THR201A, THR201D, THR204A, THR204D, THR51A, THR67A, THR67D, THR74A, THR74D, THR94A, THR94D, TYR163A, TYR163D, TYR169A, TYR169D, TYR172A, TYR172D, TYR195A, TYR195D, VAL176A, VAL176D, VAL177A, VAL177D, VAL221A, VAL221D, VAL6A, VAL6D, VAL78A, VAL78D
• A-E: ALA112A, ALA112E, ALA124A, ALA124E, ALA130A, ALA130E, ALA132A, ALA132E, ALA135A, ALA135E, ALA139A, ALA139E, ALA157A, ALA157E, ALA189A, ALA189E, ALA200A, ALA200E, ALA207A, ALA207E, ARG115A, ARG115E, ARG179A, ARG179E, ASP117A, ASP117E, ASP133A, ASP133E, CYS136A, CYS136E, CYS206A, CYS206E, GLN188A, GLN188E, GLN209A, GLN209E, GLU127A, GLU127E, GLU142A, GLU142E, GLU186A, GLU186E, GLY154A, GLY154E, GLY191A, GLY191E, GLY210A, GLY210E, HIS122A, HIS122E, LEU116A, LEU116E, LEU121A, LEU121E, LEU140A, LEU140E, LEU203A, LEU203E, LEU211E, LYS145A, LYS145E, MET126A, MET126E, MET190A, MET190E, MET193A, MET193E, PHE123A, PHE123E, PHE128A, PHE128E, PHE134A, PHE134E, PHE180A, PHE180E, PRO125A, PRO125E, PRO129A, PRO129E, SER113A, SER113E, SER120A, SER120E, SER158A, SER158E, SER183A, SER183E, SER208A, SER208E, THR110A, THR110E, THR111A, THR111E, THR137A, THR137E, THR138A, THR138E, THR156A, THR156E, THR204A, THR204E, TRP187A, TRP187E, VAL109A, VAL109E, VAL114A, VAL114E, VAL131A, VAL131E, VAL141A, VAL141E, VAL153A, VAL153E, VAL155A, VAL155E, VAL192A, VAL192E
• A-F: ALA189F, ARG175A, ARG178A, ARG178F, ARG179A, ARG179F, GLN188F, GLU127F, GLU167F, GLU185F, GLU186F, GLY182F, GLY191F, HIS122A, LYS181A, LYS181F, MET184F, MET190F, PHE180F, SER173A, SER183F, TRP187F, VAL176A, VAL176F, VAL177A, VAL177F
• B-C: ALA112B, ALA112C, ALA124B, ALA124C, ALA130B, ALA130C, ALA132B, ALA132C, ALA135B, ALA135C, ALA139B, ALA139C, ALA157B, ALA157C, ALA189B, ALA189C, ALA200B, ALA200C, ALA207B, ALA207C, ARG115B, ARG115C, ARG179B, ARG179C, ASP117B, ASP117C, ASP133B, ASP133C, CYS136B, CYS136C, CYS206B, CYS206C, GLN188B, GLN188C, GLN209B, GLN209C, GLU127B, GLU127C, GLU142B, GLU142C, GLU186B, GLU186C, GLY154B, GLY154C, GLY191B, GLY191C, GLY210B, GLY210C, HIS122B, HIS122C, LEU116B, LEU116C, LEU121B, LEU121C, LEU140B, LEU140C, LEU203B, LEU203C, LEU211B, LYS145C, MET126B, MET126C, MET190B, MET190C, MET193B, MET193C, PHE123B, PHE123C, PHE128B, PHE128C, PHE134B, PHE134C, PHE180B, PHE180C, PRO125B, PRO125C, PRO129B, PRO129C, SER113B, SER113C, SER120B, SER120C, SER158B, SER158C, SER183B, SER183C, SER208B, SER208C, THR110B, THR110C, THR111B, THR111C, THR137B, THR137C, THR138B, THR138C, THR151B, THR156B, THR156C, THR204B, THR204C, TRP187B, TRP187C, VAL109B, VAL109C, VAL114B, VAL114C, VAL131B, VAL131C, VAL141B, VAL141C, VAL153B, VAL153C, VAL155B, VAL155C, VAL192B, VAL192C
• B-E: ALA119B, ALA119E, ALA124B, ALA124E, ALA207B, ALA207E, ALA77B, ALA77E, ALA82B, ALA82E, ARG115B, ARG115E, ARG168B, ARG168E, ARG175B, ARG175E, ARG178B, ARG178E, ARG179B, ARG179E, ARG30B, ARG30E, ARG48B, ARG48E, ARG87B, ARG87E, ARG91B, ARG91E, ASN230E, ASP117B, ASP117E, ASP160B, ASP160E, ASP170B, ASP170E, ASP27B, ASP27E, ASP5B, CYS206B, CYS206E, GLN166B, GLN166E, GLN209B, GLN209E, GLN83B, GLN83E, GLU167B, GLU167E, GLU198B, GLU198E, GLU29B, GLU29E, GLU49B, GLU49E, GLU79B, GLU79E, GLU80B, GLU80E, GLY118B, GLY118E, GLY165B, GLY165E, GLY174B, GLY174E, GLY210B, GLY210E, GLY26B, GLY26E, GLY68B, GLY68E, GLY70B, GLY70E, GLY71B, GLY71E, GLY85B, GLY85E, HIS122B, HIS122E, HIS47B, HIS47E, HIS8B, HIS8E, ILE220E, ILE69B, ILE69E, ILE76B, ILE76E, ILE86B, ILE86E, LEU116B, LEU116E, LEU121B, LEU121E, LEU211B, LEU211E, LEU81B, LEU81E, LEU84B, LEU84E, LEU9B, LEU9E, LYS13B, LYS181E, MET126B, MET126E, MET197B, MET197E, MET205B, MET205E, MET234E, PHE123B, PHE123E, PHE128B, PHE128E, PHE162B, PHE162E, PHE180B, PHE180E, PHE50B, PHE50E, PHE7B, PHE7E, PHE89B, PHE89E, PRO125B, PRO125E, PRO164B, PRO164E, PRO25B, PRO25E, PRO28B, PRO28E, PRO72B, PRO72E, SER120B, SER120E, SER158B, SER158E, SER159B, SER159E, SER173B, SER173E, SER208B, SER208E, SER46B, SER46E, SER66B, SER66E, SER73B, SER73E, SER75B, SER75E, THR161B, THR161E, THR171B, THR171E, THR201B, THR201E, THR204B, THR204E, THR51E, THR67B, THR67E, THR74B, THR74E, THR94B, THR94E, TYR163B, TYR163E, TYR169B, TYR169E, TYR172B, TYR172E, TYR195B, TYR195E, VAL176B, VAL176E, VAL177B, VAL177E, VAL221E, VAL6B, VAL6E, VAL78B, VAL78E
• B-F: ALA189B, ARG175F, ARG178B, ARG178F, ARG179B, ARG179F, GLN188B, GLU127B, GLU167B, GLU185B, GLU186B, GLY182B, GLY191B, HIS122F, LEU121F, LYS181B, LYS181F, MET184B, MET190B, PHE180B, SER173F, SER183B, TRP187B, VAL176F, VAL177B, VAL177F
• C-D: ALA189D, ARG175C, ARG178C, ARG178D, ARG179C, ARG179D, GLN188D, GLU127D, GLU167D, GLU185D, GLU186D, GLY182D, GLY191D, HIS122C, LYS181C, LYS181D, MET184D, MET190D, PHE180D, SER173C, SER183D, TRP187D, VAL176C, VAL177C, VAL177D
• C-E: ALA189C, ARG175E, ARG178C, ARG178E, ARG179C, ARG179E, GLN188C, GLU127C, GLU167C, GLU185C, GLU186C, GLY182C, GLY191C, HIS122E, LEU121E, LYS181C, LYS181E, MET184C, MET190C, PHE180C, SER173E, SER183C, TRP187C, VAL176C, VAL176E, VAL177C, VAL177E
• C-F: ALA119C, ALA119F, ALA124C, ALA124F, ALA207C, ALA207F, ALA231F, ALA77C, ALA77F, ALA82C, ALA82F, ARG115C, ARG115F, ARG168C, ARG168F, ARG175C, ARG175F, ARG178C, ARG178F, ARG179C, ARG179F, ARG212C, ARG212F, ARG30C, ARG30F, ARG48C, ARG48F, ARG87C, ARG87F, ARG91C, ARG91F, ASN230F, ASP117C, ASP117F, ASP160C, ASP160F, ASP170C, ASP170F, ASP27C, ASP27F, ASP5C, ASP5F, CYS206C, CYS206F, GLN166C, GLN166F, GLN209C, GLN209F, GLN226C, GLN83C, GLN83F, GLU167C, GLU167F, GLU198C, GLU198F, GLU227F, GLU238C, GLU29C, GLU29F, GLU49C, GLU49F, GLU79C, GLU79F, GLU80C, GLU80F, GLY118C, GLY118F, GLY165C, GLY165F, GLY174C, GLY174F, GLY210C, GLY210F, GLY26C, GLY26F, GLY68C, GLY68F, GLY70C, GLY70F, GLY71C, GLY71F, GLY85C, GLY85F, GLY93C, GLY93F, HIS122C, HIS122F, HIS47C, HIS47F, HIS8C, HIS8F, ILE220C, ILE220F, ILE228F, ILE69C, ILE69F, ILE76C, ILE76F, ILE86C, ILE86F, LEU116C, LEU116F, LEU121C, LEU121F, LEU211C, LEU211F, LEU81C, LEU81F, LEU84C, LEU84F, LEU9C, LEU9F, LYS13C, LYS13F, LYS3F, MET126C, MET126F, MET197C, MET197F, MET205C, MET205F, PHE123C, PHE123F, PHE128C, PHE128F, PHE162C, PHE162F, PHE180C, PHE180F, PHE50C, PHE50F, PHE7C, PHE7F, PHE89C, PHE89F, PRO125C, PRO125F, PRO164C, PRO164F, PRO229F, PRO25C, PRO25F, PRO28C, PRO28F, PRO72C, PRO72F, SER120C, SER120F, SER158C, SER158F, SER159C, SER159F, SER173C, SER173F, SER208C, SER208F, SER46C, SER46F, SER66C, SER66F, SER73C, SER73F, SER75C, SER75F, THR161C, THR161F, THR171C, THR171F, THR201C, THR201F, THR204F, THR67C, THR67F, THR74C, THR74F, THR94C, THR94F, THR95F, TYR163C, TYR163F, TYR169C, TYR169F, TYR172C, TYR172F, TYR195C, TYR195F, VAL176C, VAL176F, VAL177C, VAL177F, VAL221C, VAL221F, VAL6C, VAL6F, VAL78C, VAL78F
• D-E: ALA189E, ARG175D, ARG178D, ARG178E, ARG179D, ARG179E, GLN188E, GLU127E, GLU167E, GLU185E, GLU186E, GLY182E, GLY191E, HIS122D, LEU121D, LYS181D, LYS181E, MET184E, MET190E, PHE180E, SER173D, SER183E, TRP187E, VAL176D, VAL177D, VAL177E, VAL192E
• D-F: ALA112D, ALA112F, ALA124D, ALA124F, ALA130D, ALA130F, ALA132D, ALA132F, ALA135D, ALA135F, ALA139D, ALA139F, ALA157D, ALA157F, ALA189D, ALA189F, ALA200D, ALA200F, ALA207D, ALA207F, ARG115D, ARG115F, ARG179D, ARG179F, ASP117D, ASP117F, ASP133D, ASP133F, CYS136D, CYS136F, CYS206D, CYS206F, GLN188D, GLN209D, GLN209F, GLU127D, GLU127F, GLU142D, GLU142F, GLU186D, GLU186F, GLY154D, GLY154F, GLY191D, GLY191F, GLY210D, GLY210F, HIS122D, LEU116D, LEU116F, LEU121D, LEU121F, LEU140D, LEU140F, LEU203D, LEU203F, LEU211F, LYS145D, MET126D, MET126F, MET190D, MET190F, MET193D, MET193F, PHE123D, PHE123F, PHE128D, PHE128F, PHE134D, PHE134F, PHE180D, PHE180F, PRO125D, PRO125F, PRO129D, PRO129F, SER113D, SER113F, SER120D, SER158D, SER158F, SER183D, SER183F, SER208D, SER208F, THR110D, THR110F, THR111D, THR111F, THR137D, THR137F, THR138D, THR138F, THR156D, THR156F, THR204D, THR204F, TRP187D, TRP187F, VAL109D, VAL109F, VAL114D, VAL114F, VAL131D, VAL131F, VAL141D, VAL141F, VAL153D, VAL153F, VAL155D, VAL155F, VAL192D, VAL192F