3O4F

crystal structure of spermidine synthase from e. coli

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 155
  • Norm. En. per Res.: -4.5519
• 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	-130.9438	-16.0244	-506.739	-653.7072	150	24	24	18513	2	13	13
A-E	-4.4367	-44.0629	-181.062	-229.5616	81	3	3	8443	6	18	36
A-F	0.0	-14.2301	-27.0226	-41.2527	26	2	2	1090	2	8	6
B-D	-33.762	13.6624	-74.9146	-95.0142	40	4	0	3251	0	19	17
B-E	0.0	-14.208	-26.7051	-40.9131	24	2	2	970	2	8	6
B-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
C-D	-146.5206	-5.3142	-546.903	-698.7378	155	24	24	18954	2	14	16
C-G	-6.2971	-43.5514	-172.54	-222.3884	81	2	3	8170	6	19	36
C-H	0.0	-17.1867	-30.3502	-47.5369	25	1	2	1043	2	10	6
D-G	0.0	-14.0392	-26.8059	-40.8451	26	1	2	930	2	10	8
D-H	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
E-F	-129.7922	-8.2466	-484.931	-622.9698	151	22	23	18095	2	13	10
G-H	-142.2004	-21.7145	-541.625	-705.5399	155	26	25	19063	4	12	11

Interface residues

• A-B: ALA20A, ALA20B, ALA221A, ALA221B, ALA222A, ALA222B, ALA267A, ALA267B, ALA271A, ALA271B, ALA272A, ALA272B, ALA274A, ALA274B, ALA41A, ALA41B, ALA42A, ALA42B, ARG262A, ARG262B, ARG58A, ARG58B, ASN265A, ASN265B, ASN40A, ASN40B, ASP13A, ASP13B, ASP22A, ASP22B, ASP281A, ASP281B, ASP59A, ASP59B, CYS195A, CYS195B, CYS261A, CYS261B, GLN14A, GLN14B, GLN17A, GLN17B, GLN198B, GLN199A, GLN199B, GLN220A, GLN220B, GLN277A, GLN277B, GLN280A, GLN280B, GLN6A, GLN6B, GLU57A, GLU57B, GLU60A, GLU60B, GLU65A, GLU65B, GLU9A, GLU9B, GLY16A, GLY16B, GLY228A, GLY228B, GLY229A, GLY229B, GLY44B, HIS12A, HIS12B, HIS269A, HIS269B, HIS8A, HIS8B, ILE223A, ILE223B, ILE230A, ILE230B, ILE268A, ILE268B, ILE62A, ILE62B, LEU11A, LEU11B, LEU197A, LEU197B, LEU259B, LEU275A, LEU275B, LEU279A, LEU279B, LYS260A, LYS260B, LYS4A, MET231A, MET231B, MET66A, MET66B, PHE15A, PHE15B, PHE196A, PHE196B, PHE19A, PHE19B, PHE254A, PHE254B, PHE273A, PHE273B, PHE38A, PHE38B, PHE43A, PHE43B, PHE61A, PHE61B, PRO224A, PRO224B, PRO266A, PRO266B, PRO276A, PRO276B, THR10A, THR10B, THR225A, THR225B, THR270A, THR270B, THR56A, THR56B, TRP7A, TRP7B, TYR18A, TYR18B, TYR226A, TYR226B, TYR227A, TYR227B, TYR263A, TYR263B, TYR264A, TYR264B, TYR278A, TYR278B, VAL194A, VAL194B, VAL21A, VAL21B, VAL46A, VAL46B, VAL53A, VAL53B
• A-E: ALA202A, ALA202E, ALA282A, ALA282E, ALA284A, ALA284E, ARG207A, ARG207E, ASP13A, ASP13E, ASP161A, ASP161E, ASP204A, ASP204E, ASP281A, ASP281E, GLN14A, GLN14E, GLN198A, GLN198E, GLN199A, GLN199E, GLN286A, GLN286E, GLU167A, GLU167E, GLU200A, GLU200E, GLU201A, GLU201E, GLY164A, GLY164E, GLY166A, GLY166E, HIS12A, HIS12E, HIS211A, HIS211E, ILE163A, ILE163E, ILE203A, ILE203E, LEU11A, LEU11E, LEU169A, LEU169E, LEU197A, LEU197E, LEU279E, PHE15A, PHE15E, PHE170A, PHE170E, PHE196A, PHE196E, PRO162A, PRO162E, PRO165A, PRO165E, SER168A, SER168E, SER172A, SER172E, SER205A, SER205E, SER285A, SER285E, THR10A, THR10E, THR160A, THR160E, THR171A, THR171E, TYR212A, TYR212E, TYR278A, TYR278E, VAL194A, VAL194E, VAL52A, VAL52E
• A-F: ALA20F, ALA284A, ALA41F, ALA42F, ARG207A, ARG262F, ARG58F, ASN123F, ASN40F, ASP22F, GLN286A, GLU39F, GLU57F, GLY44F, HIS211A, LEU169A, LYS208A, PHE170A, PHE43F, PRO287A, SER210A, SER285A, SER288A, THR171A, TYR212A, VAL21F
• B-D: ARG45B, ARG45D, ASN23B, ASN23D, ASP31B, ASP31D, ASP34B, ASP34D, GLN119B, GLN119D, GLN33B, GLN33D, GLU28B, GLU28D, GLU39D, HIS27B, HIS27D, HIS32B, HIS32D, ILE36B, ILE36D, ILE37B, ILE37D, LEU25B, LEU25D, LEU35B, LEU35D, LYS29B, LYS29D, LYS5B, PHE116B, PHE116D, THR30B, THR30D, TYR120B, TYR120D, TYR26B, TYR26D, VAL24B, VAL24D
• B-E: ALA20B, ALA284E, ALA41B, ALA42B, ARG207E, ARG262B, ARG58B, ASN123B, ASN40B, ASP22B, GLN286E, GLU39B, GLU57B, GLY44B, HIS211E, LEU169E, LYS208E, PHE170E, PHE43B, PRO287E, SER210E, SER285E, THR171E, VAL21B
• B-F: LYS260B, LYS260F
• C-D: ALA20C, ALA20D, ALA221C, ALA221D, ALA222C, ALA222D, ALA267C, ALA267D, ALA271C, ALA271D, ALA272C, ALA272D, ALA274C, ALA274D, ALA284C, ALA41C, ALA41D, ALA42C, ALA42D, ARG262C, ARG262D, ARG58C, ARG58D, ASN265C, ASN265D, ASN40C, ASN40D, ASP13C, ASP13D, ASP22C, ASP22D, ASP281C, ASP281D, ASP59C, ASP59D, CYS195C, CYS195D, CYS261C, CYS261D, GLN14C, GLN14D, GLN17C, GLN17D, GLN198D, GLN199C, GLN199D, GLN220C, GLN220D, GLN277C, GLN277D, GLN280C, GLN280D, GLN6C, GLN6D, GLU57C, GLU57D, GLU60C, GLU60D, GLU65C, GLU65D, GLU9C, GLU9D, GLY16C, GLY16D, GLY228C, GLY228D, GLY229C, GLY229D, GLY44C, GLY44D, GLY51D, HIS12C, HIS12D, HIS269C, HIS269D, HIS8C, HIS8D, ILE223C, ILE223D, ILE230C, ILE230D, ILE268C, ILE268D, ILE62C, ILE62D, LEU11C, LEU11D, LEU197C, LEU197D, LEU259C, LEU275C, LEU275D, LEU279C, LEU279D, LYS260C, LYS260D, LYS4C, LYS4D, LYS5D, MET231C, MET231D, MET66C, MET66D, PHE15C, PHE15D, PHE196C, PHE196D, PHE19C, PHE19D, PHE254C, PHE254D, PHE273C, PHE273D, PHE38C, PHE38D, PHE43C, PHE43D, PHE61C, PHE61D, PRO224C, PRO224D, PRO266C, PRO266D, PRO276C, PRO276D, THR10C, THR10D, THR225C, THR225D, THR270C, THR270D, THR56C, THR56D, TRP7C, TRP7D, TYR18C, TYR18D, TYR226C, TYR226D, TYR227C, TYR227D, TYR263C, TYR263D, TYR264C, TYR264D, TYR278C, TYR278D, VAL194C, VAL194D, VAL21C, VAL21D, VAL46C, VAL46D, VAL53C, VAL53D
• C-G: ALA202C, ALA202G, ALA282C, ALA282G, ALA284C, ALA284G, ARG207C, ARG207G, ASP13C, ASP13G, ASP161C, ASP161G, ASP204C, ASP204G, ASP281C, ASP281G, GLN14C, GLN14G, GLN198C, GLN198G, GLN199C, GLN199G, GLN286C, GLN286G, GLU167C, GLU167G, GLU200C, GLU200G, GLU201C, GLU201G, GLY164C, GLY164G, GLY166C, GLY166G, HIS12C, HIS12G, HIS211C, HIS211G, ILE163C, ILE163G, ILE203C, ILE203G, LEU11C, LEU11G, LEU169C, LEU169G, LEU197C, LEU197G, LYS208C, PHE15C, PHE15G, PHE170C, PHE170G, PHE196C, PHE196G, PRO162C, PRO162G, PRO165C, PRO165G, SER168C, SER168G, SER172C, SER172G, SER205C, SER205G, SER285C, SER285G, THR10C, THR10G, THR160C, THR160G, THR171C, THR171G, TYR212C, TYR212G, TYR278C, TYR278G, VAL194C, VAL194G, VAL52C, VAL52G
• C-H: ALA20H, ALA284C, ALA41H, ALA42H, ARG207C, ARG262H, ARG58H, ASN123H, ASN40H, ASP22H, GLN286C, GLU39H, GLU57H, GLY44H, HIS211C, LEU169C, LYS208C, PHE170C, PHE43H, PRO287C, SER210C, SER285C, THR171C, TYR212C, VAL21H
• D-G: ALA20D, ALA284G, ALA41D, ALA42D, ARG207G, ARG262D, ARG58D, ASN123D, ASN40D, ASP22D, GLN286G, GLU39D, GLU57D, GLY44D, HIS211G, LEU169G, LYS208G, LYS4D, PHE170G, PHE43D, PRO287G, SER210G, SER285G, THR171G, TYR212G, VAL21D
• D-H: LYS260D, LYS260H
• E-F: ALA20E, ALA20F, ALA221E, ALA221F, ALA222E, ALA222F, ALA267E, ALA267F, ALA271E, ALA271F, ALA272E, ALA272F, ALA274E, ALA274F, ALA41E, ALA41F, ALA42E, ALA42F, ARG262E, ARG262F, ARG58E, ARG58F, ASN265E, ASN265F, ASN40E, ASN40F, ASP13E, ASP13F, ASP22E, ASP22F, ASP281E, ASP281F, ASP59E, ASP59F, CYS195E, CYS195F, CYS261E, CYS261F, GLN14E, GLN14F, GLN17E, GLN17F, GLN199E, GLN199F, GLN220E, GLN220F, GLN277E, GLN277F, GLN280E, GLN280F, GLN6E, GLN6F, GLU57E, GLU57F, GLU60E, GLU60F, GLU65E, GLU65F, GLU9E, GLU9F, GLY16E, GLY16F, GLY228E, GLY228F, GLY229E, GLY229F, GLY44F, GLY51F, HIS12E, HIS12F, HIS269E, HIS269F, HIS8E, HIS8F, ILE223E, ILE223F, ILE230E, ILE230F, ILE268E, ILE268F, ILE62E, ILE62F, LEU11E, LEU11F, LEU197E, LEU197F, LEU259F, LEU275E, LEU275F, LEU279E, LEU279F, LYS260E, LYS260F, MET231E, MET231F, MET66E, MET66F, PHE15E, PHE15F, PHE196E, PHE196F, PHE19E, PHE19F, PHE254E, PHE254F, PHE273E, PHE273F, PHE38E, PHE38F, PHE43E, PHE43F, PHE61E, PHE61F, PRO224E, PRO224F, PRO266E, PRO266F, PRO276E, PRO276F, THR10E, THR10F, THR225E, THR225F, THR247E, THR247F, THR270E, THR270F, THR56E, THR56F, TRP7E, TRP7F, TYR18E, TYR18F, TYR226E, TYR226F, TYR227E, TYR227F, TYR263E, TYR263F, TYR264E, TYR264F, TYR278E, TYR278F, VAL194E, VAL194F, VAL21E, VAL21F, VAL46E, VAL46F, VAL53E, VAL53F
• G-H: ALA20G, ALA20H, ALA221G, ALA221H, ALA222G, ALA222H, ALA267G, ALA267H, ALA271G, ALA271H, ALA272G, ALA272H, ALA274G, ALA274H, ALA284G, ALA41G, ALA41H, ALA42G, ALA42H, ARG262G, ARG262H, ARG58G, ARG58H, ASN265G, ASN265H, ASN40G, ASN40H, ASP13G, ASP13H, ASP22G, ASP22H, ASP281G, ASP281H, ASP59G, ASP59H, CYS195G, CYS195H, CYS261G, CYS261H, GLN14G, GLN14H, GLN17G, GLN17H, GLN198H, GLN199G, GLN199H, GLN220G, GLN220H, GLN277G, GLN277H, GLN280G, GLN280H, GLN6G, GLN6H, GLU39H, GLU57G, GLU57H, GLU60G, GLU60H, GLU65G, GLU65H, GLU9G, GLU9H, GLY16G, GLY16H, GLY228G, GLY228H, GLY229G, GLY229H, GLY44G, GLY44H, GLY51G, HIS12G, HIS12H, HIS269G, HIS269H, HIS8G, HIS8H, ILE223G, ILE223H, ILE230G, ILE230H, ILE268G, ILE268H, ILE62G, ILE62H, LEU11G, LEU11H, LEU197G, LEU197H, LEU259G, LEU259H, LEU275G, LEU275H, LEU279G, LEU279H, LYS260G, LYS260H, LYS5H, MET231G, MET231H, MET66G, MET66H, PHE15G, PHE15H, PHE196G, PHE196H, PHE19G, PHE19H, PHE254G, PHE254H, PHE273G, PHE273H, PHE38G, PHE38H, PHE43G, PHE43H, PHE61G, PHE61H, PRO224G, PRO224H, PRO266G, PRO266H, PRO276G, PRO276H, THR10G, THR10H, THR225G, THR225H, THR270G, THR270H, THR56G, THR56H, TRP7G, TRP7H, TYR18G, TYR18H, TYR226G, TYR226H, TYR227G, TYR227H, TYR263G, TYR263H, TYR264G, TYR264H, TYR278G, TYR278H, VAL194G, VAL194H, VAL21G, VAL21H, VAL46G, VAL46H, VAL53G, VAL53H