1MTO

crystal structure of a phosphofructokinase mutant from bacillus stearothermophilus bound with fructose-6-phosphate

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 13
  • Norm. En. per Res.: -4.6099
• 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	-60.497	35.5684	-344.608	-369.5366	131	50	5	14284	7	64	66
A-C	-59.3858	-65.687	-424.428	-549.5009	184	22	20	20510	19	78	60
A-D	0.0	0.0	-5.5615	-5.5615	14	2	0	379	1	5	12
A-G	-11.0969	17.9614	-34.8891	-28.0245	26	2	0	1405	5	13	12
A-H	0.0	9.9793	-5.9307	4.0486	40	0	0	549	0	18	13
B-C	0.0	0.0	-9.4651	-9.4651	12	0	0	393	1	5	11
B-D	-80.0436	-49.3118	-410.806	-540.1614	182	27	21	20088	13	73	59
B-G	0.0	-7.1253	-14.5518	-21.6771	61	0	0	1329	0	36	25
B-H	-6.9136	25.1593	-32.5511	-14.3054	24	6	0	1367	5	13	11
C-D	-48.2091	4.6641	-364.022	-407.567	132	29	5	14586	6	65	65
E-F	-67.6194	11.7752	-330.726	-386.5702	130	40	5	14640	6	63	63
E-G	-60.8146	-68.3331	-433.167	-562.3146	186	28	23	20862	17	73	58
E-H	-2.9409	17.8431	-9.8649	5.0374	14	10	0	711	2	4	12
F-G	-15.3303	-31.4414	-13.157	-59.9287	13	7	0	654	5	6	11
F-H	-71.0744	-73.7315	-415.618	-560.4239	182	21	21	20307	14	74	60
G-H	-26.2752	-10.703	-327.677	-364.6552	136	38	5	14084	7	64	68

Interface residues

• A-B: ALA142A, ALA142B, ALA149A, ALA149B, ALA157A, ALA157B, ALA71A, ALA71B, ARG154A, ARG154B, ARG162A, ARG162B, ARG243A, ARG243B, ARG252A, ARG252B, ARG63A, ARG63B, ARG72A, ARG72B, ASN144A, ASN144B, ASN17A, ASN17B, ASP12A, ASP12B, ASP148A, ASP148B, ASP151A, ASP151B, ASP155A, ASP155B, GLN251A, GLN251B, GLU161A, GLU161B, GLU241A, GLU241B, GLY10A, GLY10B, GLY11A, GLY11B, GLY212B, GLY248A, GLY248B, GLY253A, GLY253B, GLY254A, GLY254B, GLY40A, GLY40B, GLY64A, GLY64B, GLY65A, GLY65B, HIS160A, HIS160B, HIS215A, HIS215B, HIS249A, HIS249B, HIS39A, HIS39B, HIS62A, ILE126B, ILE150A, ILE150B, ILE153A, ILE153B, ILE166A, ILE166B, ILE67A, ILE67B, LEU247A, LEU247B, LEU68A, LEU68B, LYS152A, LYS152B, LYS213A, LYS213B, LYS214A, LYS214B, MET169A, MET169B, MET16A, MET16B, PRO14A, PRO14B, PRO256A, PRO256B, SER13A, SER13B, SER159A, SER159B, SER255A, SER255B, SER9A, SER9B, THR141A, THR141B, THR145A, THR145B, THR156A, THR156B, THR158A, THR158B, THR242A, THR245A, THR245B, THR257A, THR257B, THR66A, THR66B, THR70A, THR70B, THR8A, THR8B, TRP164A, TRP164B, TYR38B, TYR69A, TYR69B, VAL146A, VAL146B, VAL244A, VAL244B, VAL246A, VAL246B, VAL250A, VAL250B
• A-C: ALA142A, ALA142C, ALA149A, ALA149C, ALA183A, ALA183C, ALA186A, ALA186C, ALA18A, ALA18C, ALA19A, ALA19C, ALA258A, ALA258C, ALA264A, ALA264C, ALA269A, ALA269C, ALA271C, ALA27A, ALA27C, ALA312A, ALA312C, ARG154A, ARG154C, ARG204C, ARG207A, ARG207C, ARG211A, ARG211C, ARG21A, ARG21C, ARG25A, ARG25C, ARG261A, ARG261C, ARG266A, ARG266C, ARG270A, ARG270C, ARG309A, ARG309C, ARG63A, ASN144A, ASN144C, ASN288A, ASN288C, ASN289A, ASN289C, ASP134A, ASP134C, ASP140A, ASP140C, ASP148A, ASP148C, ASP151A, ASP151C, ASP155A, ASP155C, ASP260A, ASP260C, ASP307A, ASP307C, ASP59A, ASP59C, GLN287A, GLN287C, GLN290A, GLN290C, GLU187A, GLU187C, GLU273A, GLU273C, GLU277C, GLU316A, GLU316C, GLY181A, GLY181C, GLY184A, GLY184C, GLY185A, GLY185C, GLY212A, GLY212C, GLY268A, GLY268C, GLY55A, GLY55C, GLY58A, GLY58C, HIS215A, HIS215C, HIS30A, HIS30C, HIS62A, HIS62C, ILE147A, ILE147C, ILE150A, ILE150C, ILE20A, ILE20C, ILE286A, ILE286C, ILE28A, ILE28C, ILE319A, ILE319C, ILE60A, ILE60C, ILE61A, ILE61C, LEU143A, LEU143C, LEU178A, LEU178C, LEU182A, LEU182C, LEU263A, LEU263C, LEU267A, LEU267C, LEU291A, LEU291C, LEU313A, LEU313C, LEU317A, LEU317C, LYS213A, LYS213C, LYS26A, LYS26C, LYS315A, LYS315C, MET310A, MET310C, PHE135A, PHE135C, PHE139A, PHE139C, PHE259A, PHE259C, PRO256A, PRO256C, SER180A, SER180C, SER22A, SER22C, SER255A, SER255C, SER265A, SER265C, SER314A, SER314C, SER318A, SER318C, THR133A, THR133C, THR141A, THR141C, THR145A, THR145C, THR158A, THR158C, THR257A, THR257C, TYR179A, TYR179C, TYR29A, TYR29C, VAL146A, VAL146C, VAL23A, VAL23C, VAL24A, VAL24C, VAL262A, VAL262C, VAL272A, VAL272C, VAL54A, VAL54C, VAL57A, VAL57C
• A-D: ARG261A, ARG63A, ARG63D, ASP59A, ASP59D, GLY64A, GLY64D, HIS62A, HIS62D, ILE60A, ILE60D, ILE67D, SER255A, SER255D
• A-G: ALA237A, ALA237G, ARG162A, ARG162G, ARG232A, ARG232G, ARG243A, ARG243G, ASP229G, GLN233G, GLN235A, GLN235G, GLU236A, GLU236G, GLU241A, GLU241G, GLY239A, GLY239G, PHE240A, PHE240G, THR242A, THR242G, VAL228A, VAL228G, VAL244A, VAL244G
• A-H: ALA237A, ALA237H, ARG232A, ARG232H, ARG72A, ARG72H, ASN199A, ASN199H, ASP229A, ASP229H, GLN233A, GLN233H, GLU167A, GLU167H, GLU222A, GLU222H, GLU236A, GLU236H, GLY225A, GLY225H, GLY227A, GLY227H, HIS172A, HIS172H, HIS249A, HIS249H, LYS206H, LYS77H, MET169A, MET198A, MET198H, PRO74A, SER226A, SER226H, THR238H, VAL224A, VAL224H, VAL228A, VAL228H, VAL246A
• B-C: ARG63B, ARG63C, ASP59B, ASP59C, GLY58B, GLY64B, GLY64C, HIS62B, HIS62C, ILE60B, ILE60C, ILE67C
• B-D: ALA142B, ALA142D, ALA149B, ALA149D, ALA183B, ALA183D, ALA186B, ALA186D, ALA18B, ALA18D, ALA19B, ALA258B, ALA258D, ALA264B, ALA264D, ALA269B, ALA269D, ALA27B, ALA27D, ALA312B, ALA312D, ARG154B, ARG154D, ARG204B, ARG207B, ARG211B, ARG211D, ARG21B, ARG21D, ARG25B, ARG25D, ARG261B, ARG261D, ARG266B, ARG266D, ARG270B, ARG270D, ARG309B, ARG309D, ARG63B, ARG63D, ASN144B, ASN144D, ASN288B, ASN288D, ASN289B, ASN289D, ASP134B, ASP134D, ASP140B, ASP140D, ASP148B, ASP148D, ASP151B, ASP151D, ASP155B, ASP155D, ASP260B, ASP260D, ASP307B, ASP307D, ASP56D, ASP59B, ASP59D, GLN287B, GLN287D, GLN290B, GLN290D, GLU187B, GLU187D, GLU273B, GLU273D, GLU316B, GLU316D, GLU53D, GLY181B, GLY181D, GLY184B, GLY184D, GLY185B, GLY185D, GLY268B, GLY268D, GLY31B, GLY55B, GLY55D, GLY58B, GLY58D, HIS215B, HIS215D, HIS30B, HIS30D, HIS62B, HIS62D, ILE147B, ILE147D, ILE150B, ILE150D, ILE189B, ILE189D, ILE20B, ILE20D, ILE286B, ILE286D, ILE28B, ILE28D, ILE319B, ILE319D, ILE60B, ILE60D, ILE61B, ILE61D, LEU143B, LEU143D, LEU178B, LEU178D, LEU182B, LEU182D, LEU263B, LEU263D, LEU267B, LEU267D, LEU291B, LEU291D, LEU313B, LEU313D, LEU317B, LEU317D, LYS213B, LYS213D, LYS26B, LYS26D, LYS315B, LYS315D, MET310B, MET310D, PHE135B, PHE135D, PHE139B, PHE139D, PHE259B, PHE259D, PRO256B, PRO256D, SER180B, SER180D, SER22B, SER22D, SER255B, SER255D, SER265B, SER265D, SER314B, SER314D, SER318B, SER318D, THR141B, THR141D, THR145B, THR145D, THR158B, THR158D, THR257B, THR257D, TYR179B, TYR179D, TYR29B, TYR29D, VAL146B, VAL146D, VAL23B, VAL23D, VAL24B, VAL24D, VAL262B, VAL262D, VAL272B, VAL272D, VAL54B, VAL54D, VAL57B, VAL57D
• B-G: ALA203B, ALA203G, ALA237B, ALA237G, ARG171B, ARG171G, ARG232B, ARG232G, ARG72B, ARG72G, ASN199B, ASN199G, ASP197B, ASP200B, ASP229B, ASP229G, CYS73G, GLN107B, GLN107G, GLN233B, GLN233G, GLU167G, GLU222B, GLU222G, GLU236B, GLU236G, GLU75B, GLU75G, GLY104B, GLY104G, GLY223B, GLY223G, GLY225B, GLY225G, GLY239B, HIS172B, HIS172G, HIS249B, HIS249G, ILE202B, ILE202G, LYS206B, LYS206G, LYS77B, LYS77G, MET169G, MET198B, MET198G, PHE230B, PHE230G, PRO74B, PRO74G, SER226B, SER226G, THR238B, THR238G, THR78G, TYR196B, TYR196G, VAL224B, VAL224G
• B-H: ALA237H, ARG162B, ARG162H, ARG232B, ARG232H, ARG243B, ARG243H, GLN233B, GLN233H, GLN235B, GLN235H, GLU236B, GLU236H, GLU241B, GLU241H, GLY239H, PHE240H, THR238H, THR242B, THR242H, VAL228B, VAL228H, VAL244B, VAL244H
• C-D: ALA142C, ALA142D, ALA149C, ALA149D, ALA157C, ALA157D, ALA71C, ALA71D, ARG154C, ARG154D, ARG162C, ARG162D, ARG243C, ARG243D, ARG252C, ARG252D, ARG63C, ARG63D, ARG72C, ARG72D, ASN144C, ASN144D, ASN17C, ASN17D, ASP12C, ASP12D, ASP148C, ASP148D, ASP151C, ASP151D, ASP155C, ASP155D, GLN251C, GLN251D, GLU161C, GLU161D, GLU241C, GLU241D, GLY10C, GLY10D, GLY11C, GLY11D, GLY212C, GLY212D, GLY248C, GLY248D, GLY253C, GLY253D, GLY254C, GLY254D, GLY64C, GLY64D, GLY65C, GLY65D, HIS160C, HIS160D, HIS215C, HIS215D, HIS249C, HIS249D, HIS39C, HIS39D, HIS62D, ILE126D, ILE150C, ILE150D, ILE153C, ILE153D, ILE166C, ILE166D, ILE67C, ILE67D, LEU247C, LEU247D, LEU68C, LEU68D, LYS152C, LYS152D, LYS213C, LYS214C, LYS214D, MET169C, MET169D, MET16C, MET16D, PRO14C, PRO14D, PRO256C, PRO256D, SER13C, SER13D, SER159C, SER159D, SER255C, SER255D, SER9C, SER9D, THR141C, THR141D, THR145C, THR145D, THR156C, THR156D, THR158C, THR158D, THR242C, THR242D, THR245C, THR245D, THR257C, THR257D, THR66C, THR66D, THR70C, THR70D, THR8C, THR8D, TRP164C, TRP164D, TYR38C, TYR69C, TYR69D, VAL146C, VAL146D, VAL228C, VAL228D, VAL244C, VAL244D, VAL246C, VAL246D, VAL250C, VAL250D
• E-F: ALA142E, ALA142F, ALA149E, ALA149F, ALA157E, ALA157F, ALA42F, ALA71E, ALA71F, ARG154E, ARG154F, ARG162E, ARG162F, ARG243E, ARG243F, ARG252E, ARG252F, ARG63E, ARG63F, ARG72E, ARG72F, ASN144E, ASN144F, ASN17E, ASN17F, ASP12E, ASP12F, ASP148E, ASP148F, ASP151E, ASP151F, ASP155E, ASP155F, GLN251E, GLN251F, GLU161E, GLU161F, GLU241E, GLU241F, GLY10E, GLY10F, GLY11E, GLY11F, GLY15F, GLY212F, GLY248E, GLY248F, GLY253E, GLY253F, GLY254E, GLY254F, GLY40F, GLY64E, GLY64F, GLY65E, GLY65F, HIS160E, HIS160F, HIS215E, HIS215F, HIS249E, HIS249F, HIS39E, HIS39F, HIS62F, ILE126E, ILE126F, ILE150E, ILE150F, ILE153E, ILE153F, ILE166E, ILE166F, ILE67E, ILE67F, LEU247E, LEU247F, LEU68E, LEU68F, LYS152E, LYS152F, LYS214E, LYS214F, MET169E, MET169F, MET16E, MET16F, PRO14E, PRO14F, PRO256E, PRO256F, SER13E, SER13F, SER159E, SER159F, SER255E, SER255F, SER9E, SER9F, THR141E, THR141F, THR145E, THR145F, THR156E, THR156F, THR158E, THR158F, THR242E, THR242F, THR245E, THR245F, THR66E, THR66F, THR70E, THR70F, THR8E, THR8F, TRP164E, TRP164F, TYR38F, TYR69E, TYR69F, VAL146E, VAL146F, VAL244E, VAL244F, VAL246E, VAL246F, VAL250E, VAL250F
• E-G: ALA142E, ALA142G, ALA149E, ALA149G, ALA183E, ALA183G, ALA186E, ALA186G, ALA18E, ALA18G, ALA19E, ALA258E, ALA258G, ALA264E, ALA264G, ALA269E, ALA269G, ALA27E, ALA27G, ALA312E, ALA312G, ARG154E, ARG154G, ARG204E, ARG207G, ARG211E, ARG211G, ARG21E, ARG21G, ARG25E, ARG25G, ARG261E, ARG261G, ARG266E, ARG266G, ARG270E, ARG270G, ARG309E, ARG309G, ARG63E, ARG63G, ASN144E, ASN144G, ASN288E, ASN288G, ASN289E, ASN289G, ASP134E, ASP134G, ASP140E, ASP140G, ASP148E, ASP148G, ASP151E, ASP151G, ASP155E, ASP155G, ASP260E, ASP260G, ASP307E, ASP307G, ASP59E, ASP59G, GLN287E, GLN287G, GLN290E, GLN290G, GLU187E, GLU187G, GLU273E, GLU273G, GLU277G, GLU316E, GLU316G, GLU53G, GLY181E, GLY181G, GLY184E, GLY184G, GLY185E, GLY185G, GLY208G, GLY212E, GLY212G, GLY268E, GLY268G, GLY31E, GLY55E, GLY55G, GLY58E, GLY58G, HIS215E, HIS215G, HIS30E, HIS30G, HIS62E, HIS62G, ILE147E, ILE147G, ILE150E, ILE150G, ILE189E, ILE189G, ILE20G, ILE286E, ILE286G, ILE28E, ILE28G, ILE319E, ILE319G, ILE60E, ILE60G, ILE61E, ILE61G, LEU143E, LEU143G, LEU178E, LEU178G, LEU182E, LEU182G, LEU263E, LEU263G, LEU267E, LEU267G, LEU291E, LEU291G, LEU313E, LEU313G, LEU317E, LEU317G, LYS152G, LYS213E, LYS213G, LYS26E, LYS26G, LYS315E, LYS315G, MET310E, MET310G, PHE135E, PHE135G, PHE139E, PHE139G, PHE259E, PHE259G, PRO256E, PRO256G, SER180E, SER180G, SER22E, SER22G, SER255E, SER255G, SER265E, SER265G, SER314E, SER314G, SER318E, SER318G, THR133G, THR141E, THR141G, THR145E, THR145G, THR158E, THR158G, THR257E, THR257G, TYR179E, TYR179G, TYR29E, TYR29G, VAL146E, VAL146G, VAL23E, VAL23G, VAL24E, VAL24G, VAL262E, VAL262G, VAL272E, VAL272G, VAL54E, VAL54G, VAL57E, VAL57G
• E-H: ARG63E, ARG63H, ASP59E, ASP59H, GLY58E, GLY64E, GLY64H, HIS62E, HIS62H, ILE60E, ILE60H, SER255E, SER255H, TYR69E
• F-G: ARG63F, ARG63G, ASP59F, ASP59G, GLY58F, GLY58G, GLY64F, GLY64G, HIS62F, HIS62G, ILE60F, ILE60G, SER255G
• F-H: ALA142F, ALA142H, ALA149F, ALA183F, ALA183H, ALA186F, ALA186H, ALA18F, ALA18H, ALA19F, ALA258F, ALA258H, ALA264F, ALA264H, ALA269F, ALA269H, ALA27F, ALA27H, ALA312F, ALA312H, ARG154F, ARG154H, ARG204H, ARG211F, ARG211H, ARG21F, ARG21H, ARG25F, ARG25H, ARG261F, ARG261H, ARG266F, ARG266H, ARG270F, ARG270H, ARG309F, ARG309H, ARG63F, ARG63H, ASN144F, ASN144H, ASN288F, ASN288H, ASN289F, ASN289H, ASP134F, ASP134H, ASP140F, ASP140H, ASP148F, ASP148H, ASP151F, ASP151H, ASP155F, ASP155H, ASP260F, ASP260H, ASP307F, ASP307H, ASP59F, ASP59H, GLN287F, GLN287H, GLN290F, GLN290H, GLU187F, GLU187H, GLU273F, GLU273H, GLU316F, GLU316H, GLY181F, GLY181H, GLY184F, GLY184H, GLY185F, GLY185H, GLY212F, GLY212H, GLY268F, GLY268H, GLY31F, GLY55F, GLY55H, GLY58F, GLY58H, HIS215F, HIS215H, HIS30F, HIS30H, HIS62F, HIS62H, ILE147F, ILE147H, ILE150F, ILE150H, ILE189F, ILE189H, ILE20F, ILE217F, ILE286F, ILE286H, ILE28F, ILE28H, ILE319F, ILE319H, ILE60F, ILE60H, ILE61F, ILE61H, LEU143F, LEU143H, LEU178F, LEU178H, LEU182F, LEU182H, LEU263F, LEU263H, LEU267F, LEU267H, LEU291F, LEU291H, LEU313F, LEU313H, LEU317F, LEU317H, LYS213F, LYS213H, LYS26F, LYS26H, LYS315F, LYS315H, MET310F, MET310H, PHE135F, PHE135H, PHE139F, PHE139H, PHE259F, PHE259H, PRO256F, PRO256H, SER180F, SER180H, SER22F, SER22H, SER255F, SER255H, SER265F, SER265H, SER314F, SER314H, SER318F, SER318H, THR133F, THR133H, THR141F, THR141H, THR145F, THR145H, THR158F, THR158H, THR257F, THR257H, TYR179F, TYR179H, TYR29F, TYR29H, VAL146F, VAL146H, VAL23F, VAL23H, VAL24F, VAL24H, VAL262F, VAL262H, VAL272F, VAL272H, VAL54F, VAL54H, VAL57F, VAL57H
• G-H: ALA142G, ALA142H, ALA149G, ALA149H, ALA157G, ALA157H, ALA71G, ALA71H, ARG154G, ARG154H, ARG162G, ARG162H, ARG243G, ARG243H, ARG252G, ARG252H, ARG63G, ARG63H, ARG72G, ARG72H, ASN144G, ASN144H, ASN17G, ASN17H, ASN48G, ASP12G, ASP12H, ASP148G, ASP148H, ASP151G, ASP151H, ASP155G, ASP155H, GLN251G, GLN251H, GLU161G, GLU161H, GLU241G, GLU241H, GLY10G, GLY10H, GLY11G, GLY11H, GLY212G, GLY212H, GLY248G, GLY248H, GLY253G, GLY253H, GLY254G, GLY254H, GLY40G, GLY40H, GLY64G, GLY64H, GLY65G, GLY65H, HIS160G, HIS160H, HIS215G, HIS215H, HIS249G, HIS249H, HIS39G, HIS39H, HIS62G, HIS62H, ILE126G, ILE126H, ILE150G, ILE150H, ILE153G, ILE153H, ILE166G, ILE166H, ILE67G, ILE67H, LEU247G, LEU247H, LEU68G, LEU68H, LYS152G, LYS152H, LYS213G, LYS213H, LYS214G, LYS214H, MET169G, MET169H, MET16G, MET16H, PRO14G, PRO14H, PRO256G, PRO256H, SER13G, SER13H, SER159G, SER159H, SER255G, SER255H, SER9G, SER9H, THR141G, THR141H, THR145G, THR145H, THR156G, THR156H, THR158G, THR158H, THR242G, THR245G, THR245H, THR257G, THR257H, THR66G, THR66H, THR70G, THR70H, THR8G, THR8H, TRP164G, TRP164H, TYR38G, TYR38H, TYR69G, TYR69H, VAL146G, VAL146H, VAL244G, VAL244H, VAL246G, VAL246H, VAL250G, VAL250H