3R5B

pseudomonas aeruginosa dapd (pa3666) in complex with l-2-aminopimelate

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 179
  • Norm. En. per Res.: -3.8046
• Hub Node: B(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	-80.7716	-63.1572	-413.16	-557.0887	173	20	10	17516	7	42	43
A-C	-140.937	-95.3736	-444.715	-681.0256	179	29	9	18507	8	45	45
B-C	-67.8434	-48.3534	-384.644	-500.8408	170	12	8	16680	7	42	43
B-E	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	0	1
B-F	0.0	7.1884	-15.4641	-8.2757	11	2	0	617	0	8	10
C-E	0.0	0.0	-72.4969	-72.4969	42	1	2	2893	0	3	1
D-E	-85.8127	-47.6536	-375.171	-508.6373	166	19	8	16550	7	40	41
D-F	-80.3029	-49.6305	-390.041	-519.9743	179	14	8	17420	7	44	45
E-F	-79.6302	-65.4587	-336.023	-481.1119	156	19	9	14956	8	41	40

Interface residues

• A-B: ALA136B, ALA142A, ALA146B, ALA149B, ALA155B, ALA180A, ALA185A, ALA188A, ALA188B, ALA226B, ALA264A, ALA264B, ALA266A, ALA266B, ALA27A, ALA280A, ALA291B, ALA324A, ALA324B, ALA77A, ALA83A, ARG156B, ARG183A, ARG189A, ARG189B, ARG191B, ARG223A, ARG223B, ARG317A, ARG318A, ARG318B, ARG81A, ASN134B, ASN139A, ASN139B, ASN209B, ASN265A, ASN265B, ASN319A, ASN319B, ASN322A, ASN322B, ASP168B, ASP175A, ASP186A, ASP186B, CYS240A, CYS240B, GLN152B, GLN321A, GLN86A, GLU150B, GLU154B, GLU163A, GLU163B, GLU205A, GLU205B, GLU221A, GLU23A, GLU279A, GLU326B, GLU84A, GLY13A, GLY141A, GLY159B, GLY181A, GLY206A, GLY206B, GLY222A, GLY222B, GLY237A, GLY238A, GLY238B, GLY239A, GLY239B, GLY244B, GLY263A, GLY263B, GLY267B, GLY281A, GLY281B, GLY287B, GLY323A, GLY323B, HIS111A, HIS115A, HIS204A, HIS204B, ILE140A, ILE184A, ILE196A, ILE268B, ILE284B, LEU132B, LEU145B, LEU148B, LEU151B, LEU153B, LEU157B, LEU161B, LEU162B, LEU192A, LEU192B, LEU282A, LEU282B, LEU28A, LEU78A, LEU79A, LEU82A, LEU89A, LYS158B, LYS160B, LYS169B, LYS172A, LYS172B, LYS289B, LYS304B, LYS87A, MET173A, MET173B, MET203A, MET219A, MET243B, PHE10A, PHE129B, PHE165A, PHE165B, PHE170B, PHE207A, PHE207B, PHE210B, PHE25A, PRO133B, PRO171A, PRO171B, PRO179A, PRO88A, SER166B, SER225B, SER241B, SER320A, SER80A, SER85A, THR138A, THR138B, THR14A, THR174A, THR187A, THR187B, THR201A, THR242B, THR285B, THR288B, TRP137A, TRP137B, TYR107A, TYR176A, TYR26A, TYR283B, VAL12A, VAL135B, VAL164B, VAL167B, VAL177A, VAL178A, VAL182A, VAL190B, VAL202A, VAL208B, VAL24A, VAL290B, VAL302B, VAL325B
• A-C: ALA136A, ALA142C, ALA146A, ALA149A, ALA155A, ALA180C, ALA185C, ALA188A, ALA188C, ALA226A, ALA264A, ALA264C, ALA266A, ALA266C, ALA27C, ALA280C, ALA291A, ALA324A, ALA324C, ALA77C, ALA83C, ARG156A, ARG183C, ARG189A, ARG189C, ARG191A, ARG223A, ARG223C, ARG317C, ARG318A, ARG318C, ARG81C, ASN134A, ASN139A, ASN139C, ASN209A, ASN265A, ASN265C, ASN319A, ASN319C, ASN322A, ASN322C, ASP168A, ASP175C, ASP186A, ASP186C, ASP235C, CYS240A, CYS240C, GLN152A, GLN321C, GLN86C, GLU150A, GLU154A, GLU163A, GLU163C, GLU205A, GLU205C, GLU221C, GLU23C, GLU279C, GLU326A, GLU84C, GLY13C, GLY141C, GLY159A, GLY181C, GLY206A, GLY206C, GLY222A, GLY222C, GLY237C, GLY238A, GLY238C, GLY239A, GLY239C, GLY244A, GLY263A, GLY263C, GLY267A, GLY269A, GLY281A, GLY281C, GLY287A, GLY323A, GLY323C, HIS111C, HIS115C, HIS204A, HIS204C, ILE140C, ILE184C, ILE196C, ILE262A, ILE268A, ILE284A, LEU132A, LEU145A, LEU148A, LEU151A, LEU153A, LEU157A, LEU161A, LEU162A, LEU192A, LEU192C, LEU246A, LEU282A, LEU282C, LEU28C, LEU78C, LEU79C, LEU82C, LEU89C, LYS158A, LYS160A, LYS169A, LYS172A, LYS172C, LYS289A, LYS304A, LYS87C, MET173A, MET173C, MET203C, MET219C, MET243A, PHE129A, PHE165A, PHE165C, PHE170A, PHE207A, PHE207C, PHE210A, PHE25C, PRO133A, PRO171A, PRO171C, PRO179C, PRO88C, SER166A, SER225A, SER241A, SER320C, SER80C, SER85C, THR138A, THR138C, THR14C, THR174C, THR187A, THR187C, THR201C, THR242A, THR285A, THR288A, TRP137A, TRP137C, TYR107C, TYR176C, TYR26C, TYR283A, VAL12C, VAL135A, VAL164A, VAL167A, VAL177C, VAL178C, VAL182C, VAL190A, VAL190C, VAL202C, VAL208A, VAL24C, VAL290A, VAL302A, VAL303A, VAL325A, VAL325C
• B-C: ALA136C, ALA142B, ALA149C, ALA155C, ALA180B, ALA185B, ALA188B, ALA188C, ALA226C, ALA264B, ALA264C, ALA266B, ALA266C, ALA27B, ALA280B, ALA291C, ALA324B, ALA324C, ALA77B, ALA83B, ARG156C, ARG183B, ARG189B, ARG189C, ARG191C, ARG223B, ARG223C, ARG317B, ARG318B, ARG318C, ARG81B, ASN134C, ASN139B, ASN139C, ASN209C, ASN265B, ASN265C, ASN319B, ASN319C, ASN322B, ASN322C, ASP168C, ASP175B, ASP186B, ASP186C, CYS240B, CYS240C, GLN152C, GLN321B, GLN86B, GLU150C, GLU154C, GLU163B, GLU163C, GLU205B, GLU205C, GLU221B, GLU23B, GLU279B, GLU326C, GLU84B, GLY13B, GLY141B, GLY159C, GLY181B, GLY206B, GLY206C, GLY222B, GLY222C, GLY237B, GLY238B, GLY238C, GLY239B, GLY239C, GLY244C, GLY263B, GLY263C, GLY267C, GLY281B, GLY281C, GLY287C, GLY323B, GLY323C, HIS111B, HIS115B, HIS204B, HIS204C, ILE140B, ILE184B, ILE268C, ILE284C, LEU132C, LEU145C, LEU148C, LEU153C, LEU157C, LEU161C, LEU162C, LEU192B, LEU192C, LEU282B, LEU282C, LEU28B, LEU78B, LEU79B, LEU82B, LEU89B, LYS158C, LYS160C, LYS169C, LYS172B, LYS172C, LYS289C, LYS304C, LYS87B, MET173B, MET173C, MET203B, MET219B, MET243C, PHE129C, PHE165B, PHE165C, PHE170C, PHE207B, PHE207C, PHE210C, PHE25B, PRO133C, PRO171B, PRO171C, PRO179B, PRO88B, SER166C, SER225C, SER241C, SER320B, SER80B, SER85B, THR138B, THR138C, THR14B, THR174B, THR187B, THR187C, THR201B, THR242C, THR285C, THR288C, TRP137B, TRP137C, TYR107B, TYR176B, TYR26B, TYR283C, VAL12B, VAL135C, VAL164C, VAL167C, VAL177B, VAL178B, VAL182B, VAL190C, VAL202B, VAL208C, VAL24B, VAL290C, VAL302C, VAL303C, VAL325C
• B-E: ARG81E, PRO217B
• B-F: ARG17F, ARG275B, ASN16F, ASP274B, ASP313B, GLN18F, GLN311B, GLU147F, GLU19F, GLU258B, PRO312B
• C-E: ALA40E, ALA61E, ALA65E, ALA67E, ALA73E, ALA83E, ALA98C, ALA99C, ASN124C, ASN211C, ASN251C, ASP66E, ASP72E, GLN59E, GLN60E, GLN63E, GLU84E, GLY127C, GLY244C, GLY70E, ILE128C, ILE252C, ILE44E, ILE71E, LEU125C, LEU131C, LEU132C, LEU64E, LEU68E, LYS169C, LYS69E, PHE129C, PHE210C, PRO100C, PRO130C, PRO43E, SER101C, SER102C, SER126C, SER58E, TYR62E, VAL253C
• D-E: ALA136E, ALA142D, ALA149E, ALA155E, ALA180D, ALA185D, ALA188D, ALA188E, ALA226E, ALA264D, ALA264E, ALA266D, ALA266E, ALA27D, ALA280D, ALA291E, ALA305E, ALA324D, ALA324E, ALA77D, ALA83D, ARG156E, ARG183D, ARG189D, ARG189E, ARG191E, ARG223D, ARG223E, ARG317D, ARG318D, ARG81D, ASN134E, ASN139D, ASN139E, ASN209E, ASN265D, ASN265E, ASN319D, ASN322D, ASP168E, ASP175D, ASP186D, ASP186E, CYS240D, CYS240E, GLN152E, GLN321D, GLN86D, GLU150E, GLU154E, GLU163D, GLU163E, GLU205D, GLU205E, GLU221D, GLU23D, GLU279D, GLU326E, GLU84D, GLY13D, GLY141D, GLY159E, GLY181D, GLY206D, GLY206E, GLY222D, GLY222E, GLY237D, GLY238D, GLY238E, GLY239D, GLY239E, GLY263D, GLY263E, GLY267E, GLY281D, GLY281E, GLY287E, GLY323D, HIS111D, HIS115D, HIS204D, HIS204E, ILE140D, ILE184D, ILE268E, ILE284E, LEU132E, LEU145E, LEU148E, LEU153E, LEU157E, LEU161E, LEU162E, LEU192D, LEU192E, LEU282D, LEU282E, LEU28D, LEU299E, LEU78D, LEU79D, LEU82D, LEU89D, LYS158E, LYS160E, LYS169E, LYS172D, LYS172E, LYS289E, LYS304E, LYS87D, MET173D, MET173E, MET203D, MET219D, MET243E, PHE129E, PHE165D, PHE165E, PHE170E, PHE207D, PHE207E, PHE210E, PHE25D, PRO133E, PRO171D, PRO171E, PRO179D, PRO88D, SER166E, SER225E, SER241E, SER320D, SER80D, SER85D, THR138D, THR138E, THR14D, THR174D, THR187D, THR187E, THR201D, THR242E, THR285E, THR288E, TRP137D, TRP137E, TYR107D, TYR176D, TYR26D, TYR283E, VAL12D, VAL135E, VAL164E, VAL167E, VAL177D, VAL178D, VAL182D, VAL190E, VAL202D, VAL208E, VAL24D, VAL290E, VAL302E, VAL325E
• D-F: ALA136D, ALA142F, ALA149D, ALA155D, ALA180F, ALA185F, ALA188D, ALA188F, ALA226D, ALA264D, ALA264F, ALA266D, ALA266F, ALA27F, ALA280F, ALA291D, ALA305D, ALA324D, ALA324F, ALA77F, ALA83F, ARG156D, ARG183F, ARG189D, ARG189F, ARG191D, ARG223D, ARG223F, ARG317F, ARG318D, ARG318F, ARG81F, ASN134D, ASN139D, ASN139F, ASN209D, ASN265D, ASN265F, ASN297F, ASN319D, ASN319F, ASN322D, ASN322F, ASP168D, ASP175F, ASP186D, ASP186F, ASP235F, CYS240D, CYS240F, GLN152D, GLN321D, GLN321F, GLN86F, GLU150D, GLU154D, GLU163D, GLU163F, GLU205D, GLU205F, GLU221D, GLU221F, GLU23F, GLU279F, GLU326D, GLU84F, GLY13F, GLY141F, GLY159D, GLY181F, GLY206D, GLY206F, GLY222D, GLY222F, GLY237F, GLY238D, GLY238F, GLY239D, GLY239F, GLY244D, GLY263D, GLY263F, GLY267D, GLY281D, GLY281F, GLY287D, GLY323D, GLY323F, HIS111F, HIS115F, HIS204D, HIS204F, ILE140F, ILE184F, ILE196F, ILE268D, ILE284D, LEU132D, LEU145D, LEU148D, LEU151D, LEU153D, LEU157D, LEU161D, LEU162D, LEU192D, LEU192F, LEU246D, LEU282D, LEU282F, LEU28F, LEU299D, LEU78F, LEU79F, LEU82F, LEU89F, LYS158D, LYS160D, LYS169D, LYS172D, LYS172F, LYS289D, LYS304D, LYS87F, MET173D, MET173F, MET203F, MET219F, MET243D, PHE129D, PHE165D, PHE165F, PHE170D, PHE207D, PHE207F, PHE210D, PHE25F, PRO133D, PRO171D, PRO171F, PRO179F, PRO88F, SER166D, SER225D, SER241D, SER320F, SER80F, SER85F, THR138D, THR138F, THR14F, THR174F, THR187D, THR187F, THR201F, THR242D, THR285D, THR288D, TRP137D, TRP137F, TYR107F, TYR176F, TYR26F, TYR283D, VAL12F, VAL135D, VAL164D, VAL167D, VAL177F, VAL178F, VAL182F, VAL190D, VAL202F, VAL208D, VAL24F, VAL290D, VAL302D, VAL303D, VAL325D
• E-F: ALA136F, ALA142E, ALA146F, ALA149F, ALA155F, ALA180E, ALA185E, ALA188E, ALA188F, ALA226F, ALA264E, ALA264F, ALA266E, ALA266F, ALA27E, ALA280E, ALA324E, ALA324F, ALA77E, ALA83E, ARG156F, ARG183E, ARG189E, ARG189F, ARG191F, ARG223E, ARG223F, ARG318F, ARG81E, ASN134F, ASN139E, ASN139F, ASN209F, ASN265E, ASN265F, ASN322F, ASP168F, ASP175E, ASP186E, ASP186F, CYS240E, CYS240F, GLN152F, GLN86E, GLU150F, GLU154F, GLU163E, GLU163F, GLU205E, GLU205F, GLU221E, GLU23E, GLU279E, GLU84E, GLY13E, GLY141E, GLY159F, GLY181E, GLY206E, GLY206F, GLY222E, GLY222F, GLY237E, GLY238E, GLY238F, GLY239E, GLY239F, GLY263E, GLY263F, GLY267F, GLY281E, GLY281F, GLY323F, HIS111E, HIS115E, HIS204E, HIS204F, ILE140E, ILE184E, ILE268F, ILE284F, LEU132F, LEU145F, LEU148F, LEU151F, LEU153F, LEU157F, LEU161F, LEU162F, LEU192E, LEU192F, LEU282E, LEU282F, LEU28E, LEU78E, LEU79E, LEU82E, LEU89E, LYS158F, LYS160F, LYS169F, LYS172E, LYS172F, LYS87E, MET173E, MET173F, MET203E, MET219E, MET243F, PHE129F, PHE165E, PHE165F, PHE170F, PHE207E, PHE207F, PHE210F, PHE25E, PRO133F, PRO171E, PRO171F, PRO179E, PRO88E, SER166F, SER225F, SER241F, SER80E, SER85E, THR138E, THR138F, THR14E, THR174E, THR187E, THR187F, THR200E, THR201E, THR242F, THR285F, THR288F, TRP137E, TRP137F, TYR107E, TYR176E, TYR26E, TYR283E, TYR283F, VAL12E, VAL135F, VAL164F, VAL167F, VAL177E, VAL178E, VAL182E, VAL190F, VAL202E, VAL208F, VAL24E