3H02

2.15 angstrom resolution crystal structure of naphthoate synthase from salmonella typhimurium.

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 104
  • Norm. En. per Res.: -5.0606
• Hub Node: A(5)

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	-86.5319	-49.6345	-378.246	-514.4124	112	13	9	14460	5	27	31
A-C	-88.4642	-55.0229	-379.972	-523.4591	114	12	8	14659	5	30	32
A-D	-40.8182	-12.1959	-465.261	-518.2751	167	17	1	16352	3	27	29
A-E	0.0	0.0	-0.0821	-0.0821	8	0	0	36	0	0	0
A-F	-37.4656	-9.0791	-233.3	-279.8446	104	3	13	9234	0	10	17
B-C	-77.3107	-51.4241	-370.956	-499.6908	113	13	9	14387	5	23	27
B-D	0.0	0.0	-0.0862	-0.0862	8	0	0	37	0	0	0
B-E	-74.1334	-19.8734	-375.688	-469.6949	146	15	16	14092	0	19	31
B-F	-79.19	-2.661	-439.805	-521.6559	141	35	2	15635	8	29	29
C-D	-76.2878	-23.0529	-342.956	-442.2966	148	11	15	13348	0	21	30
C-E	-57.3036	-13.6963	-458.629	-529.6289	162	19	3	16002	8	24	27
C-F	0.0	0.0	-0.0622	-0.0622	7	0	0	34	0	0	0
D-E	-89.1338	-51.4757	-364.155	-504.7645	113	12	9	14149	5	27	28
D-F	-97.8517	-54.2644	-374.184	-526.3001	104	13	9	14351	5	27	28
E-F	-79.7008	-51.1599	-376.966	-507.8267	113	13	8	14618	5	27	29

Interface residues

• A-B: ALA124A, ALA168B, ALA172A, ALA172B, ALA180B, ALA228A, ALA234A, ALA235A, ALA238A, ALA253A, ARG116A, ARG173A, ARG173B, ARG181B, ARG188B, ARG216A, ARG219A, ARG230A, ASN107B, ASN202A, ASN224A, ASN237A, ASN252A, ASN284A, ASP110B, ASP142A, ASP163B, ASP197A, ASP197B, ASP239A, ASP239B, ASP241A, CYS118A, CYS141A, CYS187B, CYS218A, CYS231A, CYS240A, CYS240B, GLN154B, GLN177B, GLN189B, GLN223A, GLU182B, GLU213A, GLU220A, GLY156B, GLY160B, GLY164B, GLY165B, GLY167B, GLY176A, GLY176B, GLY199A, HIS104B, HIS105B, HIS135A, HIS138A, ILE115A, ILE145A, ILE174A, ILE183B, LEU106B, LEU137A, LEU143A, LEU186B, LEU196A, LEU200A, LEU222A, LEU229A, LEU232A, LEU236A, LEU249A, LEU256A, LEU9A, LYS120A, LYS158B, LYS178B, LYS179B, LYS233A, PHE152A, PHE162B, PHE185B, PRO121A, PRO157B, PRO226A, PRO285A, SER161B, SER169A, SER169B, SER225A, THR144A, THR155B, THR203A, THR214A, TRP166B, TRP184B, TRP217A, TYR10A, TYR170A, TYR170B, TYR190B, VAL122A, VAL123A, VAL126A, VAL136A, VAL159B, VAL175A, VAL175B, VAL201A, VAL204A, VAL71A
• A-C: ALA124C, ALA168A, ALA172A, ALA172C, ALA180A, ALA228C, ALA234C, ALA235C, ALA238C, ALA253C, ARG113A, ARG116C, ARG173A, ARG173C, ARG181A, ARG188A, ARG216C, ARG219C, ARG230C, ASN107A, ASN202C, ASN224C, ASN237C, ASN252C, ASN284C, ASP110A, ASP142C, ASP163A, ASP197A, ASP197C, ASP239A, ASP239C, ASP241C, CYS118C, CYS141C, CYS187A, CYS218C, CYS231C, CYS240A, CYS240C, GLN154A, GLN177A, GLN189A, GLN223C, GLU182A, GLU213C, GLU220C, GLY156A, GLY160A, GLY164A, GLY165A, GLY167A, GLY176A, GLY176C, GLY199C, HIS104A, HIS105A, HIS135C, HIS138C, ILE115C, ILE145C, ILE174C, ILE183A, LEU106A, LEU137C, LEU143C, LEU186A, LEU196C, LEU200C, LEU222C, LEU229C, LEU232C, LEU236C, LEU249C, LEU256C, LEU9C, LYS120C, LYS158A, LYS178A, LYS179A, LYS233C, LYS282C, LYS54A, PHE152C, PHE162A, PHE185A, PRO121C, PRO157A, PRO226C, PRO285C, SER161A, SER169A, SER169C, SER225C, THR117C, THR144C, THR155A, THR203C, THR214C, TRP166A, TRP184A, TRP217C, TYR10C, TYR170A, TYR170C, TYR190A, VAL122C, VAL123C, VAL126C, VAL136C, VAL159A, VAL175A, VAL175C, VAL201C
• A-D: ALA168A, ALA168D, ALA172A, ALA172D, ALA234D, ALA238A, ALA238D, ALA244A, ALA244D, ALA250A, ALA250D, ALA253A, ALA253D, ALA269A, ALA269D, ARG113A, ARG113D, ARG116A, ARG116D, ARG173A, ARG173D, ARG230A, ARG230D, ARG267A, ARG267D, ARG274A, ARG64A, ARG64D, ASN107A, ASN107D, ASN237A, ASN237D, ASN252A, ASN252D, ASN268A, ASN268D, ASN271A, ASN271D, ASP110A, ASP110D, ASP163A, ASP163D, ASP239A, ASP239D, ASP241A, ASP241D, ASP277A, ASP277D, ASP87A, ASP87D, CYS118A, CYS118D, CYS240A, CYS240D, GLN112A, GLN112D, GLN114A, GLN114D, GLN177A, GLN177D, GLN243A, GLN243D, GLN247A, GLN247D, GLN264A, GLN264D, GLN275A, GLN275D, GLN88A, GLN88D, GLU248A, GLU248D, GLU261A, GLU261D, GLU262A, GLU262D, GLU265A, GLU265D, GLY156A, GLY156D, GLY160A, GLY160D, GLY164A, GLY164D, GLY165A, GLY165D, GLY167A, GLY167D, GLY242A, GLY242D, GLY245A, GLY245D, GLY251A, GLY251D, GLY263A, GLY263D, GLY266A, GLY266D, GLY86A, GLY86D, HIS104A, HIS105A, ILE115A, ILE115D, ILE174A, ILE174D, ILE57A, ILE57D, LEU106A, LEU106D, LEU109A, LEU109D, LEU246A, LEU246D, LEU249A, LEU249D, LEU256A, LEU256D, LYS158A, LYS158D, LYS273A, LYS54A, LYS54D, PHE111A, PHE111D, PHE162A, PHE162D, PHE257A, PHE257D, PHE270A, PHE270D, PHE278A, PHE278D, PHE281D, PRO119A, PRO119D, PRO157A, PRO157D, PRO276A, PRO276D, SER161A, SER161D, SER169A, SER169D, THR117A, THR117D, THR155A, THR155D, THR254A, THR254D, THR260A, THR260D, TRP166A, TRP166D, TYR170A, TYR170D, TYR258A, TYR258D, TYR65A, TYR65D, VAL108A, VAL108D, VAL136A, VAL136D, VAL159A, VAL159D, VAL44D
• A-E: ARG173A, ARG173E, ARG181A, ARG181E, GLN177A, GLN177E, GLN243A, GLN243E
• A-F: ALA228A, ALA228F, ALA234A, ALA234F, ALA235A, ALA235F, ALA238A, ALA238F, ALA250A, ALA250F, ALA253A, ALA253F, ALA61F, ALA63F, ARG173A, ARG173F, ARG219F, ARG230A, ARG230F, ARG283A, ARG64F, ASN224F, ASN237A, ASN237F, ASN252A, ASN252F, ASN284A, ASN68F, ASP239A, ASP239F, ASP241A, ASP241F, ASP277A, ASP32F, ASP62F, ASP66F, ASP67F, CYS118F, CYS231A, CYS231F, CYS240A, CYS240F, GLN223F, GLN243A, GLN243F, GLN247A, GLN247F, GLN264A, GLN275A, GLU248A, GLU261A, GLU262A, GLU265A, GLY242A, GLY242F, GLY245A, GLY245F, GLY251A, GLY263A, GLY266A, GLY33F, GLY70F, ILE34F, LEU222F, LEU229A, LEU229F, LEU232A, LEU232F, LEU236A, LEU236F, LEU246A, LEU246F, LEU249A, LEU249F, LEU256A, LEU256F, LYS120F, LYS280A, LYS282A, PHE257A, PHE257F, PHE278A, PHE281A, PRO119F, PRO121F, PRO226A, PRO226F, PRO276A, PRO285A, SER225A, SER225F, SER279A, SER30F, THR117F, THR254A, THR254F, THR260A, THR260F, THR31F, TYR258A, TYR258F, TYR65F, VAL69F, VAL71F
• B-C: ALA124B, ALA168C, ALA172B, ALA172C, ALA180C, ALA195B, ALA228B, ALA234B, ALA235B, ALA238B, ALA253B, ARG113C, ARG116B, ARG173B, ARG173C, ARG181C, ARG188C, ARG216B, ARG219B, ARG230B, ASN107C, ASN202B, ASN224B, ASN237B, ASN252B, ASN284B, ASP110C, ASP142B, ASP163C, ASP197B, ASP197C, ASP239B, ASP239C, ASP241B, CYS118B, CYS141B, CYS187C, CYS218B, CYS231B, CYS240B, CYS240C, GLN154C, GLN177C, GLN189C, GLN223B, GLU182C, GLU213B, GLU220B, GLY156C, GLY160C, GLY164C, GLY165C, GLY167C, GLY176B, GLY176C, GLY199B, HIS135B, HIS138B, ILE115B, ILE145B, ILE174B, ILE183C, LEU106C, LEU137B, LEU143B, LEU186C, LEU196B, LEU200B, LEU222B, LEU229B, LEU232B, LEU236B, LEU249B, LEU256B, LEU9B, LYS120B, LYS158C, LYS178C, LYS179C, LYS233B, LYS54C, PHE152B, PHE162C, PHE185C, PRO121B, PRO157C, PRO226B, PRO285B, SER161C, SER169B, SER169C, SER225B, THR117B, THR144B, THR155C, THR203B, THR214B, TRP166C, TRP184C, TRP217B, TYR10B, TYR170B, TYR170C, TYR190C, VAL122B, VAL123B, VAL126B, VAL136B, VAL159C, VAL175B, VAL175C, VAL201B, VAL71B
• B-D: ARG173B, ARG173D, ARG181B, ARG181D, GLN177B, GLN177D, GLN243B, GLN243D
• B-E: ALA228B, ALA228E, ALA234B, ALA234E, ALA235B, ALA235E, ALA238B, ALA238E, ALA250B, ALA250E, ALA253B, ALA253E, ALA61B, ALA61E, ALA63B, ALA63E, ARG173B, ARG173E, ARG219B, ARG219E, ARG230B, ARG230E, ARG283B, ARG283E, ARG64B, ARG64E, ASN224B, ASN224E, ASN237B, ASN237E, ASN252B, ASN252E, ASN284B, ASN284E, ASN68B, ASN68E, ASP239B, ASP239E, ASP241B, ASP241E, ASP277B, ASP277E, ASP32B, ASP32E, ASP62B, ASP62E, ASP66B, ASP66E, ASP67B, ASP67E, CYS118B, CYS118E, CYS218B, CYS231B, CYS231E, CYS240B, CYS240E, GLN223B, GLN223E, GLN243B, GLN243E, GLN247B, GLN247E, GLN264B, GLN264E, GLN275B, GLN275E, GLU248B, GLU248E, GLU261B, GLU261E, GLU262B, GLU262E, GLU265B, GLU265E, GLY242B, GLY242E, GLY245B, GLY245E, GLY251B, GLY251E, GLY263B, GLY263E, GLY266B, GLY266E, GLY33B, GLY33E, GLY70B, GLY70E, ILE34E, LEU222B, LEU222E, LEU229B, LEU229E, LEU232B, LEU232E, LEU236B, LEU236E, LEU246B, LEU246E, LEU249B, LEU249E, LEU256B, LEU256E, LYS120B, LYS120E, LYS280B, LYS280E, LYS282B, LYS282E, PHE257B, PHE257E, PHE278B, PHE278E, PHE281B, PHE281E, PRO119B, PRO119E, PRO121B, PRO121E, PRO226B, PRO226E, PRO276B, PRO276E, PRO285B, PRO285E, SER225B, SER225E, SER279B, SER279E, SER30E, THR117B, THR117E, THR254B, THR254E, THR260B, THR260E, THR31E, TYR258B, TYR258E, TYR65B, TYR65E, VAL69B, VAL69E, VAL71B, VAL71E
• B-F: ALA168B, ALA168F, ALA172B, ALA172F, ALA238B, ALA238F, ALA244B, ALA244F, ALA250B, ALA250F, ALA253B, ALA253F, ALA269B, ARG113B, ARG113F, ARG116B, ARG116F, ARG173B, ARG173F, ARG230B, ARG230F, ARG267B, ARG64B, ARG64F, ASN107B, ASN107F, ASN237B, ASN237F, ASN252B, ASN252F, ASN268B, ASP110B, ASP110F, ASP163B, ASP163F, ASP239B, ASP239F, ASP241B, ASP241F, ASP277B, CYS240B, CYS240F, GLN112B, GLN112F, GLN114B, GLN114F, GLN177B, GLN177F, GLN243B, GLN243F, GLN247B, GLN247F, GLN264B, GLN275B, GLU248B, GLU248F, GLU261B, GLU262B, GLU265B, GLY156B, GLY156F, GLY160B, GLY160F, GLY164B, GLY164F, GLY165B, GLY165F, GLY167B, GLY167F, GLY242B, GLY242F, GLY245B, GLY245F, GLY251B, GLY251F, GLY263B, GLY266B, GLY86B, GLY86F, HIS104B, HIS105B, HIS105F, ILE115F, ILE174B, ILE174F, ILE57B, ILE57F, LEU106B, LEU106F, LEU109B, LEU109F, LEU246B, LEU246F, LEU249B, LEU249F, LEU256B, LEU256F, LYS158F, LYS54B, LYS54F, PHE111B, PHE111F, PHE162B, PHE162F, PHE257B, PHE257F, PHE270B, PHE278B, PHE281B, PRO119F, PRO157B, PRO157F, PRO276B, PRO50B, PRO50F, SER161B, SER161F, SER169B, SER169F, THR117B, THR117F, THR155F, THR254B, THR254F, THR260B, THR260F, TRP166B, TRP166F, TYR170B, TYR170F, TYR258B, TYR258F, TYR65B, TYR65F, VAL108B, VAL108F, VAL136B, VAL136F, VAL159B, VAL159F, VAL53B
• C-D: ALA228C, ALA228D, ALA234C, ALA234D, ALA235C, ALA235D, ALA238C, ALA238D, ALA250C, ALA250D, ALA253C, ALA253D, ALA61C, ALA61D, ALA63C, ALA63D, ARG173C, ARG173D, ARG219C, ARG230C, ARG230D, ARG283C, ARG283D, ARG64C, ARG64D, ASN224C, ASN224D, ASN237C, ASN237D, ASN252C, ASN252D, ASN284C, ASN284D, ASN68C, ASN68D, ASP239C, ASP239D, ASP241C, ASP241D, ASP277C, ASP277D, ASP32C, ASP32D, ASP5C, ASP5D, ASP62C, ASP62D, ASP66C, ASP66D, ASP67C, ASP67D, CYS118C, CYS118D, CYS218C, CYS231C, CYS231D, CYS240C, CYS240D, GLN223C, GLN223D, GLN243C, GLN243D, GLN247C, GLN247D, GLN264C, GLN264D, GLN275C, GLN275D, GLU248C, GLU248D, GLU261C, GLU261D, GLU262C, GLU262D, GLU265C, GLU265D, GLY242C, GLY242D, GLY245C, GLY245D, GLY251C, GLY251D, GLY263C, GLY263D, GLY266C, GLY266D, GLY33C, GLY33D, GLY70C, GLY70D, ILE34C, ILE34D, ILE72C, LEU222C, LEU222D, LEU229C, LEU229D, LEU232C, LEU232D, LEU236C, LEU236D, LEU246C, LEU246D, LEU249C, LEU249D, LEU256C, LEU256D, LYS120C, LYS120D, LYS280C, LYS280D, LYS282C, LYS282D, PHE257C, PHE257D, PHE278C, PHE278D, PHE281C, PHE281D, PRO119C, PRO119D, PRO121C, PRO121D, PRO226C, PRO226D, PRO276C, PRO276D, PRO285C, PRO285D, SER225C, SER225D, SER279C, SER279D, THR117C, THR117D, THR254C, THR254D, THR260C, THR260D, THR31C, TYR258C, TYR258D, TYR65C, TYR65D, VAL69C, VAL69D, VAL71C, VAL71D
• C-E: ALA168C, ALA168E, ALA172C, ALA172E, ALA238C, ALA238E, ALA244C, ALA244E, ALA250C, ALA250E, ALA253C, ALA253E, ALA269C, ALA269E, ARG113C, ARG113E, ARG116C, ARG116E, ARG173C, ARG173E, ARG230C, ARG230E, ARG267C, ARG267E, ARG64C, ARG64E, ASN107C, ASN107E, ASN237C, ASN237E, ASN252C, ASN252E, ASN268C, ASN268E, ASP110C, ASP110E, ASP163C, ASP163E, ASP239C, ASP239E, ASP241C, ASP241E, ASP277C, ASP277E, ASP87E, CYS118C, CYS118E, CYS240C, CYS240E, GLN112C, GLN112E, GLN114C, GLN114E, GLN177C, GLN177E, GLN243C, GLN243E, GLN247C, GLN247E, GLN264C, GLN264E, GLN275C, GLN275E, GLU248C, GLU248E, GLU261C, GLU261E, GLU262C, GLU262E, GLU265C, GLU265E, GLY156C, GLY156E, GLY160C, GLY160E, GLY164C, GLY164E, GLY165C, GLY165E, GLY167C, GLY167E, GLY242C, GLY242E, GLY245C, GLY245E, GLY251C, GLY251E, GLY263C, GLY263E, GLY266C, GLY266E, GLY86C, GLY86E, HIS105E, ILE115C, ILE115E, ILE174C, ILE174E, ILE57C, ILE57E, LEU106C, LEU106E, LEU109C, LEU109E, LEU246C, LEU246E, LEU249C, LEU249E, LEU256C, LEU256E, LYS158C, LYS158E, LYS54C, LYS54E, PHE111C, PHE111E, PHE162C, PHE162E, PHE257C, PHE257E, PHE270C, PHE270E, PHE278C, PHE278E, PHE48E, PRO119C, PRO119E, PRO157C, PRO157E, PRO276C, PRO276E, PRO50C, PRO50E, SER161C, SER161E, SER169C, SER169E, THR117C, THR117E, THR155C, THR155E, THR254C, THR254E, THR260C, THR260E, TRP166C, TRP166E, TRP184C, TRP184E, TYR170C, TYR170E, TYR258C, TYR258E, TYR65C, TYR65E, VAL108C, VAL108E, VAL136C, VAL136E, VAL159C, VAL159E, VAL53E
• C-F: ARG173C, ARG173F, ARG181C, GLN177C, GLN177F, GLN243C, GLN243F
• D-E: ALA124D, ALA168E, ALA172D, ALA172E, ALA180E, ALA228D, ALA234D, ALA235D, ALA238D, ALA253D, ARG113E, ARG116D, ARG173D, ARG173E, ARG181E, ARG188E, ARG216D, ARG219D, ARG230D, ASN107E, ASN202D, ASN224D, ASN237D, ASN252D, ASN284D, ASP110E, ASP142D, ASP163E, ASP197D, ASP197E, ASP239D, ASP239E, ASP241D, CYS118D, CYS141D, CYS187E, CYS218D, CYS231D, CYS240D, CYS240E, GLN154E, GLN177E, GLN189E, GLN223D, GLU182E, GLU213D, GLU220D, GLU6D, GLY156E, GLY160E, GLY164E, GLY165E, GLY167E, GLY176D, GLY176E, GLY199D, HIS105E, HIS135D, HIS138D, ILE115D, ILE145D, ILE174D, ILE183E, LEU106E, LEU137D, LEU143D, LEU186E, LEU196D, LEU200D, LEU222D, LEU229D, LEU232D, LEU236D, LEU249D, LEU256D, LEU9D, LYS120D, LYS158E, LYS178E, LYS179E, LYS233D, LYS54E, PHE152D, PHE162E, PHE185E, PRO121D, PRO157E, PRO226D, PRO285D, SER161E, SER169D, SER169E, SER225D, THR117D, THR144D, THR155E, THR203D, THR214D, TRP166E, TRP184E, TRP217D, TYR10D, TYR170D, TYR170E, TYR190E, VAL122D, VAL123D, VAL126D, VAL136D, VAL159E, VAL175D, VAL175E, VAL201D
• D-F: ALA124F, ALA168D, ALA172D, ALA172F, ALA180D, ALA228F, ALA234F, ALA235F, ALA238F, ALA253F, ARG116F, ARG173D, ARG173F, ARG181D, ARG188D, ARG216F, ARG219F, ARG230F, ASN202F, ASN224F, ASN237F, ASN252F, ASP142F, ASP163D, ASP197D, ASP197F, ASP239D, ASP239F, ASP241F, CYS118F, CYS141F, CYS187D, CYS218F, CYS231F, CYS240D, CYS240F, GLN154D, GLN177D, GLN189D, GLN223F, GLU182D, GLU213F, GLU220F, GLY156D, GLY160D, GLY164D, GLY165D, GLY167D, GLY176D, GLY176F, GLY199F, HIS135F, HIS138F, ILE115F, ILE145F, ILE174F, ILE183D, LEU137F, LEU143F, LEU186D, LEU196F, LEU200F, LEU222F, LEU229F, LEU232F, LEU236F, LEU249F, LEU256F, LEU9F, LYS120F, LYS158D, LYS178D, LYS179D, LYS233F, PHE152F, PHE162D, PHE185D, PRO121F, PRO157D, PRO226F, SER161D, SER169D, SER169F, SER225F, THR144F, THR155D, THR203F, THR214F, TRP166D, TRP184D, TRP217F, TYR10F, TYR170D, TYR170F, TYR190D, VAL122F, VAL123F, VAL126F, VAL136F, VAL159D, VAL175D, VAL175F, VAL201F, VAL71F
• E-F: ALA124E, ALA168F, ALA172E, ALA172F, ALA180F, ALA228E, ALA234E, ALA235E, ALA238E, ALA253E, ARG116E, ARG173E, ARG173F, ARG181F, ARG188F, ARG216E, ARG219E, ARG230E, ASN107F, ASN202E, ASN224E, ASN237E, ASN252E, ASN284E, ASP110F, ASP142E, ASP163F, ASP197E, ASP197F, ASP239E, ASP239F, ASP241E, ASP5E, CYS118E, CYS141E, CYS187F, CYS218E, CYS231E, CYS240E, CYS240F, GLN154F, GLN177F, GLN189F, GLN223E, GLU182F, GLU213E, GLU220E, GLY156F, GLY160F, GLY164F, GLY165F, GLY167F, GLY176E, GLY176F, GLY199E, HIS105F, HIS135E, HIS138E, ILE115E, ILE145E, ILE174E, ILE183F, LEU106F, LEU109F, LEU137E, LEU143E, LEU186F, LEU196E, LEU200E, LEU222E, LEU229E, LEU232E, LEU236E, LEU249E, LEU256E, LEU9E, LYS120E, LYS158F, LYS178F, LYS179F, LYS233E, PHE152E, PHE162F, PHE185F, PRO121E, PRO157F, PRO226E, PRO285E, SER161F, SER169E, SER169F, SER225E, THR117E, THR144E, THR155F, THR203E, THR214E, TRP166F, TRP184F, TRP217E, TYR10E, TYR170E, TYR170F, TYR190F, VAL122E, VAL123E, VAL126E, VAL136E, VAL159F, VAL175E, VAL175F, VAL201E, VAL71E