3PQD

crystal structure of l-lactate dehydrogenase from bacillus subtilis complexed with fbp and nad+

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 185
  • Norm. En. per Res.: -4.2924
• Hub Node: B(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	0.0	-12.4309	-73.8272	-86.2581	72	2	0	3879	2	34	36
A-C	-41.932	16.5405	-162.723	-188.1145	103	9	6	7410	0	6	14
A-D	-77.1114	-80.1737	-636.812	-794.0971	185	37	11	24938	7	47	52
B-C	-73.0707	-60.6834	-645.774	-779.5281	191	30	12	25217	5	47	50
B-D	-81.0541	-9.9865	-155.199	-246.2395	99	10	7	6997	0	10	15
B-E	-4.2077	1.3771	-18.0965	-20.9271	27	1	0	815	0	19	14
B-H	0.0	0.0	-0.38	-0.38	4	0	0	37	0	2	1
C-D	-4.4236	-13.5163	-71.5607	-89.5005	70	0	0	3780	4	32	30
C-E	-32.3043	-47.9322	-129.744	-209.9804	65	5	1	5481	4	31	33
D-E	0.0	0.0	-0.0018	-0.0018	4	0	0	5	0	0	0
E-F	0.0	-11.6682	-85.3189	-96.9871	67	1	0	4190	2	33	32
E-G	-46.5832	-10.679	-149.139	-206.4012	101	16	6	7461	1	13	16
E-H	-59.0782	-10.2343	-618.083	-687.3955	193	36	12	24194	4	44	49
F-G	-62.6596	-30.7254	-622.907	-716.2919	185	26	11	24423	3	45	48
F-H	-17.5327	8.1105	-155.003	-164.4252	102	11	4	7686	0	6	16
G-H	-6.9084	-10.5102	-104.636	-122.0546	76	12	0	5336	3	38	38

Interface residues

• A-B: ALA246A, ALA246B, ALA57B, ALA74B, ARG142A, ARG242A, ARG242B, ARG280A, ARG280B, ASN169A, ASN169B, ASN250A, ASN250B, ASN252A, ASN252B, ASN279A, ASN279B, ASN6A, ASN6B, ASP115A, ASP115B, ASP31A, ASP31B, ASP73B, ASP75A, ASP75B, GLN27A, GLN27B, GLN59A, GLN59B, GLU251A, GLU251B, GLU32A, GLU32B, GLY116A, GLY116B, GLY281A, GLY281B, GLY28A, GLY28B, HIS249A, HIS249B, HIS4A, HIS4B, ILE117A, ILE247A, ILE247B, ILE29A, ILE29B, LEU248A, LEU248B, LYS245A, LYS245B, LYS3A, LYS54A, LYS54B, LYS62A, LYS62B, PHE56A, PHE56B, PRO58A, PRO58B, PRO60A, PRO60B, SER253A, SER253B, THR30A, THR30B, VAL5A, VAL5B, VAL61A, VAL61B
• A-C: ALA165A, ALA165C, ALA166A, ALA166C, ALA172A, ALA172C, ALA189A, ALA189C, ALA246C, ALA276A, ALA276C, ALA284A, ALA284C, ARG156A, ARG156C, ARG242A, ARG242C, ASN169A, ASN169C, ASN190A, ASN190C, ASN250A, ASN250C, ASN252A, ASN252C, ASN279A, ASN279C, ASN290A, ASN290C, GLN168A, GLN168C, GLN59C, GLU161A, GLU198A, GLU198C, GLU201C, GLU251A, GLU251C, GLU288A, GLU288C, GLY164A, GLY164C, GLY192A, GLY192C, GLY193A, GLY193C, GLY285A, GLY285C, HIS171A, HIS171C, HIS173A, HIS173C, HIS188A, HIS188C, ILE254A, ILE254C, ILE286A, ILE286C, LEU199A, LEU199C, LEU255A, LEU255C, LEU289A, LEU289C, LEU291A, LEU291C, LYS202C, LYS245A, LYS245C, PHE163A, PHE163C, PRO167A, PRO167C, PRO195A, PRO195C, PRO275A, PRO275C, PRO58A, PRO58C, SER160A, SER160C, SER187A, SER187C, SER253A, SER253C, THR256A, THR256C, THR287A, THR287C, TYR265A, TYR265C, VAL170A, VAL170C, VAL185A, VAL185C, VAL191A, VAL191C, VAL194A, VAL194C, VAL277A, VAL277C, VAL278A, VAL278C
• A-D: ALA13A, ALA13D, ALA153A, ALA153D, ALA165A, ALA165D, ALA166A, ALA166D, ALA21A, ALA21D, ALA221A, ALA221D, ALA222A, ALA222D, ALA231A, ALA231D, ALA237A, ALA237D, ALA23A, ALA23D, ALA241A, ALA241D, ALA43A, ALA43D, ALA55A, ALA55D, ALA57A, ALA57D, ARG154A, ARG154D, ARG156A, ARG156D, ARG242A, ARG242D, ASN169A, ASN169D, ASN220A, ASN26A, ASN26D, ASN39A, ASN39D, ASN51A, ASN51D, ASP151A, ASP151D, ASP217A, ASP217D, ASP46A, ASP46D, ASP49A, ASP49D, GLN168A, GLN168D, GLN27A, GLN27D, GLN59A, GLN59D, GLU161A, GLU161D, GLU227A, GLU227D, GLU41A, GLU41D, GLY14A, GLY14D, GLY17A, GLY17D, GLY230A, GLY230D, GLY235A, GLY235D, GLY28A, GLY28D, GLY45A, GLY45D, GLY53A, GLY53D, HIS224A, HIS224D, HIS52A, HIS52D, ILE225A, ILE225D, ILE226A, ILE226D, ILE243A, ILE243D, ILE254A, ILE254D, ILE25A, ILE25D, ILE29A, ILE29D, LEU150A, LEU150D, LEU240A, LEU240D, LEU24A, LEU24D, LEU255A, LEU255D, LEU50A, LEU50D, LYS228A, LYS228D, LYS229A, LYS229D, LYS245A, LYS245D, LYS40A, LYS40D, LYS42A, LYS42D, LYS54A, LYS54D, LYS62A, LYS62D, MET158A, MET158D, MET238A, MET238D, MET44A, MET44D, MET48A, MET48D, PHE155A, PHE155D, PHE157A, PHE157D, PHE15A, PHE15D, PHE22A, PHE22D, PHE56A, PHE56D, PRO167A, PRO167D, PRO58A, PRO58D, PRO60A, PRO60D, SER146A, SER146D, SER152A, SER152D, SER160A, SER160D, SER18A, SER18D, SER19A, SER19D, SER239A, SER239D, SER253D, SER64A, SER64D, THR148A, THR148D, THR149A, THR149D, THR232A, THR232D, THR256A, THR256D, THR63A, THR63D, TYR20A, TYR20D, TYR223D, TYR233A, TYR233D, TYR234A, TYR234D, VAL16A, VAL16D, VAL170A, VAL170D, VAL218A, VAL218D, VAL236A, VAL236D, VAL47A, VAL47D, VAL61A, VAL61D
• B-C: ALA13B, ALA13C, ALA153B, ALA153C, ALA165B, ALA165C, ALA166B, ALA166C, ALA21B, ALA21C, ALA221B, ALA221C, ALA222B, ALA222C, ALA231B, ALA231C, ALA237B, ALA237C, ALA23B, ALA23C, ALA241B, ALA241C, ALA43B, ALA43C, ALA55B, ALA55C, ALA57B, ALA57C, ARG154B, ARG154C, ARG156B, ARG156C, ARG242B, ARG242C, ASN169B, ASN169C, ASN220B, ASN220C, ASN26B, ASN26C, ASN39B, ASN39C, ASN51B, ASN51C, ASP151B, ASP151C, ASP217B, ASP217C, ASP46B, ASP46C, ASP49B, ASP49C, GLN168B, GLN168C, GLN27B, GLN27C, GLN59B, GLN59C, GLU161B, GLU161C, GLU227B, GLU227C, GLU41B, GLU41C, GLY14B, GLY14C, GLY17B, GLY17C, GLY230B, GLY230C, GLY235B, GLY235C, GLY28B, GLY28C, GLY45B, GLY45C, GLY53B, GLY53C, HIS173B, HIS224B, HIS224C, HIS52B, HIS52C, ILE225B, ILE225C, ILE226B, ILE226C, ILE243B, ILE243C, ILE254B, ILE254C, ILE25B, ILE25C, ILE29B, ILE29C, LEU150B, LEU150C, LEU240B, LEU240C, LEU24B, LEU24C, LEU255B, LEU255C, LEU50B, LEU50C, LYS228B, LYS228C, LYS229B, LYS229C, LYS245B, LYS245C, LYS40B, LYS40C, LYS42B, LYS42C, LYS54B, LYS54C, LYS62B, LYS62C, MET158B, MET158C, MET238B, MET238C, MET44B, MET44C, MET48B, MET48C, PHE155B, PHE155C, PHE157B, PHE157C, PHE15B, PHE15C, PHE22B, PHE22C, PHE56B, PHE56C, PRO167B, PRO167C, PRO58B, PRO58C, PRO60B, PRO60C, SER146B, SER146C, SER152B, SER152C, SER160B, SER160C, SER18B, SER18C, SER19B, SER19C, SER239B, SER239C, SER253B, SER253C, SER64B, SER64C, THR148B, THR148C, THR149B, THR149C, THR232B, THR232C, THR256B, THR256C, THR63B, THR63C, TYR20B, TYR20C, TYR223C, TYR233B, TYR233C, TYR234B, TYR234C, TYR65B, VAL16B, VAL16C, VAL170B, VAL170C, VAL218B, VAL218C, VAL236B, VAL236C, VAL257B, VAL257C, VAL47B, VAL47C, VAL61B, VAL61C
• B-D: ALA165B, ALA165D, ALA166B, ALA166D, ALA172B, ALA172D, ALA189B, ALA189D, ALA246B, ALA246D, ALA276B, ALA284B, ALA284D, ARG156B, ARG156D, ARG242B, ARG242D, ASN169B, ASN169D, ASN190B, ASN190D, ASN250B, ASN250D, ASN252B, ASN252D, ASN279B, ASN290B, ASN290D, GLN168B, GLN168D, GLN59B, GLN59D, GLU161B, GLU198B, GLU198D, GLU201B, GLU201D, GLU251B, GLU251D, GLU288B, GLU288D, GLY164B, GLY164D, GLY192B, GLY192D, GLY193B, GLY193D, GLY285B, GLY285D, HIS171B, HIS171D, HIS173B, HIS173D, HIS188B, HIS188D, ILE254B, ILE254D, LEU199B, LEU199D, LEU255B, LEU255D, LEU289B, LEU289D, LEU291B, LEU291D, LYS202D, LYS245D, PHE163B, PHE163D, PRO167B, PRO167D, PRO195B, PRO195D, PRO275B, PRO275D, PRO58B, PRO58D, SER160B, SER160D, SER187B, SER187D, SER197B, SER253B, SER253D, THR287B, THR287D, TYR265B, VAL170B, VAL170D, VAL185B, VAL185D, VAL191B, VAL191D, VAL194B, VAL194D, VAL277B, VAL277D, VAL278B, VAL278D
• B-E: ALA43E, ASN39E, ASP204B, ASP217B, GLN213B, GLU161B, GLU209B, GLU41E, GLU89E, GLU93E, GLU96E, GLY164B, GLY88E, HIS224B, ILE101E, LYS100E, LYS228B, LYS40E, LYS42E, LYS86E, LYS97E, PHE157B, PHE163B, SER160B, TYR162B, TYR206B, VAL38E
• B-H: GLU227H, LYS228H, LYS229H, TYR206B
• C-D: ALA246C, ALA246D, ALA57C, ALA57D, ARG142C, ARG242C, ARG242D, ARG280C, ARG280D, ASN169C, ASN169D, ASN250C, ASN250D, ASN252C, ASN252D, ASN279C, ASN279D, ASN6C, ASN6D, ASP115C, ASP115D, ASP31C, ASP31D, ASP75C, ASP75D, GLN27C, GLN27D, GLN59C, GLN59D, GLU251C, GLU251D, GLU32C, GLU32D, GLY116C, GLY116D, GLY281C, GLY281D, GLY28C, GLY28D, HIS249C, HIS249D, HIS4C, HIS4D, ILE117D, ILE247C, ILE247D, ILE29C, ILE29D, LEU248C, LEU248D, LYS245C, LYS245D, LYS54C, LYS54D, LYS62C, LYS62D, PHE56C, PHE56D, PRO58C, PRO58D, PRO60C, PRO60D, SER253C, SER253D, THR30C, THR30D, VAL5C, VAL5D, VAL61C, VAL61D
• C-E: ALA111C, ALA43C, ARG91E, ASN308E, ASN39C, ASN51C, ASP180E, ASP37C, ASP70C, GLN85E, GLU108C, GLU177E, GLU297E, GLU32C, GLU41C, GLU69C, GLU89E, GLU93E, GLU96E, GLY113C, GLY304E, GLY66C, GLY88E, HIS301E, HIS313E, ILE127E, ILE309E, ILE36C, LEU306E, LEU310E, LEU33C, LEU92E, LEU94E, LEU99E, LYS219E, LYS307E, LYS40C, LYS62C, LYS72C, LYS7C, LYS86E, LYS97E, MET110C, MET44C, MET48C, PHE314E, PRO124E, PRO312E, PRO87E, SER107C, SER112C, SER64C, THR181E, THR63C, THR67C, THR90E, TYR65C, TYR68C, VAL109C, VAL305E, VAL34C, VAL35C, VAL38C, VAL47C, VAL95E
• D-E: ASN250D, ASN252D, GLY88E, LYS86E
• E-F: ALA246E, ALA246F, ALA57E, ARG142E, ARG142F, ARG242E, ARG242F, ARG280E, ARG280F, ASN169E, ASN169F, ASN250E, ASN250F, ASN252E, ASN252F, ASN279E, ASN279F, ASN6E, ASN6F, ASP115F, ASP31E, ASP31F, ASP75E, ASP75F, GLN27E, GLN27F, GLN59E, GLN59F, GLU251E, GLU251F, GLU32E, GLU32F, GLY116F, GLY281E, GLY281F, GLY28E, GLY28F, HIS249E, HIS249F, HIS4E, HIS4F, ILE117F, ILE247E, ILE247F, ILE29E, ILE29F, LEU248E, LEU248F, LYS245E, LYS245F, LYS54F, LYS62E, LYS62F, PHE56E, PHE56F, PRO58E, PRO58F, PRO60E, PRO60F, SER253E, SER253F, THR30E, THR30F, VAL5E, VAL5F, VAL61E, VAL61F
• E-G: ALA165E, ALA165G, ALA166E, ALA166G, ALA172E, ALA172G, ALA189E, ALA189G, ALA246E, ALA276E, ALA284E, ALA284G, ARG156E, ARG156G, ARG242E, ARG242G, ASN169E, ASN169G, ASN190E, ASN190G, ASN250E, ASN250G, ASN252E, ASN252G, ASN279E, ASN279G, ASN290E, ASN290G, GLN168E, GLN168G, GLN59E, GLN59G, GLU198E, GLU198G, GLU201E, GLU201G, GLU251E, GLU251G, GLU288E, GLU288G, GLY164E, GLY164G, GLY192E, GLY192G, GLY193E, GLY193G, GLY285G, HIS171E, HIS171G, HIS173E, HIS173G, HIS188E, HIS188G, ILE254E, ILE254G, LEU199E, LEU199G, LEU255E, LEU255G, LEU289E, LEU289G, LEU291E, LEU291G, LYS202E, LYS202G, LYS245E, LYS245G, PHE163E, PHE163G, PRO167E, PRO167G, PRO195E, PRO195G, PRO275E, PRO275G, PRO58E, PRO58G, SER160E, SER160G, SER187E, SER187G, SER253E, SER253G, THR256E, THR256G, THR287E, THR287G, TYR265E, TYR265G, VAL170E, VAL170G, VAL185E, VAL185G, VAL191E, VAL191G, VAL194E, VAL194G, VAL277E, VAL277G, VAL278E, VAL278G
• E-H: ALA13E, ALA13H, ALA153E, ALA153H, ALA165E, ALA165H, ALA166E, ALA166H, ALA21E, ALA21H, ALA221E, ALA221H, ALA222E, ALA222H, ALA231E, ALA231H, ALA237E, ALA237H, ALA23E, ALA23H, ALA241E, ALA241H, ALA43E, ALA43H, ALA55E, ALA55H, ALA57E, ALA57H, ARG154E, ARG154H, ARG156E, ARG156H, ARG242E, ARG242H, ASN169E, ASN169H, ASN220E, ASN220H, ASN26E, ASN26H, ASN39E, ASN39H, ASN51E, ASN51H, ASP151E, ASP151H, ASP217E, ASP217H, ASP46E, ASP46H, ASP49E, ASP49H, GLN168E, GLN168H, GLN27E, GLN27H, GLN59E, GLN59H, GLU161E, GLU161H, GLU227E, GLU227H, GLU41E, GLU41H, GLY14E, GLY14H, GLY17E, GLY17H, GLY230E, GLY230H, GLY235E, GLY235H, GLY28E, GLY28H, GLY45E, GLY45H, GLY53E, GLY53H, HIS173E, HIS173H, HIS224E, HIS224H, HIS52E, HIS52H, ILE225E, ILE225H, ILE226E, ILE226H, ILE243E, ILE243H, ILE254E, ILE254H, ILE25E, ILE25H, ILE29E, ILE29H, LEU10H, LEU150E, LEU150H, LEU240E, LEU240H, LEU24E, LEU24H, LEU255E, LEU255H, LEU50E, LEU50H, LYS228E, LYS228H, LYS229E, LYS229H, LYS245E, LYS245H, LYS40E, LYS40H, LYS42E, LYS42H, LYS54E, LYS54H, LYS62E, LYS62H, MET158E, MET158H, MET238E, MET238H, MET44E, MET44H, MET48E, MET48H, PHE155E, PHE155H, PHE157E, PHE157H, PHE15E, PHE15H, PHE22E, PHE22H, PHE56E, PHE56H, PRO167E, PRO167H, PRO58E, PRO58H, PRO60E, PRO60H, SER146E, SER146H, SER152E, SER152H, SER160E, SER160H, SER18E, SER18H, SER19E, SER19H, SER239E, SER239H, SER253E, SER253H, SER64E, SER64H, THR148E, THR148H, THR149E, THR149H, THR232E, THR232H, THR256E, THR256H, THR63E, THR63H, TYR20E, TYR20H, TYR223E, TYR223H, TYR233E, TYR233H, TYR234E, TYR234H, VAL16E, VAL16H, VAL170E, VAL170H, VAL218E, VAL218H, VAL236E, VAL236H, VAL257E, VAL257H, VAL47E, VAL47H, VAL61E, VAL61H
• F-G: ALA13F, ALA13G, ALA153F, ALA153G, ALA165F, ALA165G, ALA166F, ALA166G, ALA21F, ALA21G, ALA221F, ALA221G, ALA222F, ALA222G, ALA231F, ALA231G, ALA237F, ALA237G, ALA23F, ALA23G, ALA241F, ALA241G, ALA43F, ALA43G, ALA55F, ALA55G, ALA57F, ALA57G, ARG154F, ARG154G, ARG156F, ARG156G, ARG242F, ARG242G, ASN169G, ASN220F, ASN220G, ASN26F, ASN26G, ASN39F, ASN39G, ASN51F, ASN51G, ASP151F, ASP151G, ASP217F, ASP217G, ASP46F, ASP46G, ASP49F, ASP49G, GLN168F, GLN168G, GLN27F, GLN27G, GLN59F, GLN59G, GLU161F, GLU161G, GLU227F, GLU227G, GLU41F, GLU41G, GLY14F, GLY14G, GLY164F, GLY17F, GLY17G, GLY230F, GLY230G, GLY235F, GLY235G, GLY28F, GLY28G, GLY45F, GLY45G, GLY53F, GLY53G, HIS224F, HIS224G, HIS52F, HIS52G, ILE225F, ILE225G, ILE226F, ILE226G, ILE243F, ILE243G, ILE254F, ILE254G, ILE25F, ILE25G, ILE29F, ILE29G, LEU150F, LEU150G, LEU240F, LEU240G, LEU24F, LEU24G, LEU255F, LEU255G, LEU50F, LEU50G, LYS228F, LYS228G, LYS229F, LYS229G, LYS245F, LYS245G, LYS40F, LYS40G, LYS42F, LYS42G, LYS54F, LYS54G, LYS62F, LYS62G, MET158F, MET158G, MET238F, MET238G, MET44F, MET44G, MET48F, MET48G, PHE155F, PHE155G, PHE157F, PHE157G, PHE15F, PHE15G, PHE22F, PHE22G, PHE56F, PHE56G, PRO167F, PRO167G, PRO58F, PRO58G, PRO60F, PRO60G, SER146F, SER152F, SER152G, SER160F, SER160G, SER18F, SER18G, SER19F, SER19G, SER239F, SER239G, SER253F, SER253G, SER64F, SER64G, THR148F, THR148G, THR149F, THR149G, THR232F, THR232G, THR256F, THR256G, THR63F, THR63G, TYR20F, TYR20G, TYR233F, TYR233G, TYR234F, TYR234G, TYR65G, VAL16F, VAL170F, VAL170G, VAL218F, VAL218G, VAL236F, VAL236G, VAL47F, VAL47G, VAL61F, VAL61G
• F-H: ALA165F, ALA165H, ALA166F, ALA166H, ALA172F, ALA172H, ALA189F, ALA189H, ALA246F, ALA276H, ALA284F, ALA284H, ARG156F, ARG156H, ARG242F, ARG242H, ASN169F, ASN169H, ASN190F, ASN190H, ASN203H, ASN250F, ASN250H, ASN252F, ASN252H, ASN279F, ASN279H, ASN290F, ASN290H, GLN168F, GLN168H, GLN59F, GLN59H, GLU161H, GLU198F, GLU198H, GLU251F, GLU251H, GLU288F, GLU288H, GLY164F, GLY164H, GLY192F, GLY192H, GLY193F, GLY193H, GLY285F, HIS171F, HIS171H, HIS173F, HIS173H, HIS188F, HIS188H, ILE254F, ILE254H, ILE286F, ILE286H, LEU199F, LEU199H, LEU255F, LEU255H, LEU289F, LEU289H, LEU291F, LEU291H, LYS202F, LYS202H, LYS245F, LYS245H, PHE163F, PHE163H, PRO167F, PRO167H, PRO195F, PRO195H, PRO275F, PRO275H, PRO58F, PRO58H, SER160F, SER160H, SER187H, SER197F, SER253F, SER253H, THR256H, THR287F, THR287H, TYR265F, TYR265H, VAL170F, VAL170H, VAL185F, VAL185H, VAL191F, VAL191H, VAL194F, VAL194H, VAL277F, VAL277H, VAL278F, VAL278H
• G-H: ALA246G, ALA284H, ALA57G, ALA57H, ARG142G, ARG142H, ARG242G, ARG242H, ARG280G, ARG280H, ASN169G, ASN169H, ASN250G, ASN250H, ASN252G, ASN252H, ASN279G, ASN279H, ASN2G, ASN6G, ASN6H, ASP115G, ASP115H, ASP31G, ASP31H, ASP75G, ASP75H, GLN27G, GLN27H, GLN59G, GLN59H, GLU251G, GLU251H, GLU32G, GLU32H, GLY116G, GLY116H, GLY281G, GLY281H, GLY282G, GLY28G, GLY28H, HIS249G, HIS249H, HIS4G, HIS4H, ILE117G, ILE117H, ILE247G, ILE247H, ILE29G, ILE29H, LEU248G, LEU248H, LYS245G, LYS245H, LYS3G, LYS3H, LYS54G, LYS54H, LYS62G, LYS62H, PHE56G, PHE56H, PRO58G, PRO58H, PRO60G, PRO60H, SER253G, SER253H, THR30G, THR30H, VAL5G, VAL5H, VAL61G, VAL61H