3VKV

complex structure of lactobacillus casei lactate dehydrogenase with fructose-1,6-bisphosphate

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 181
  • Norm. En. per Res.: -3.9429
• Hub Node: C(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	-70.4226	-76.3438	-559.37	-706.1364	180	32	15	22554	4	41	36
C-D	-2.1556	70.6917	-125.291	-56.7548	65	4	0	5338	2	41	41
C-E	-53.2723	-78.2112	-581.881	-713.3645	183	40	16	23372	4	41	35
C-F	-34.7144	-42.4341	-196.736	-273.8845	107	16	10	10022	9	24	29
D-E	-42.0146	-7.7751	-206.245	-256.0347	103	11	11	9876	3	22	24
D-F	-58.7096	-74.194	-580.767	-713.6706	181	40	17	22781	4	40	35
E-F	-7.7438	62.3761	-130.689	-76.0567	67	10	0	5419	2	42	41

Interface residues

• A-B: ALA156A, ALA156B, ALA163A, ALA163B, ALA170A, ALA170B, ALA19A, ALA19B, ALA224A, ALA224B, ALA225A, ALA225B, ALA234A, ALA234B, ALA240A, ALA240B, ALA242A, ALA242B, ALA244A, ALA244B, ALA25A, ALA25B, ALA27A, ALA27B, ALA51A, ALA51B, ALA57A, ALA57B, ARG157A, ARG157B, ARG159A, ARG159B, ARG171A, ARG171B, ARG245A, ARG245B, ASN167A, ASN167B, ASN56A, ASN56B, ASP154A, ASP154B, ASP169A, ASP169B, ASP17A, ASP17B, ASP220A, ASP220B, ASP45A, ASP45B, ASP50A, ASP50B, ASP53A, ASP53B, GLN160A, GLN160B, GLN31A, GLN31B, GLU164A, GLU164B, GLU227A, GLU227B, GLY18A, GLY18B, GLY21A, GLY21B, GLY233A, GLY233B, GLY238A, GLY238B, GLY32A, GLY32B, GLY49A, GLY49B, ILE228A, ILE228B, ILE229A, ILE229B, ILE239A, ILE239B, ILE246A, ILE246B, ILE33A, ILE33B, ILE39A, ILE39B, ILE52A, ILE52B, ILE66A, ILE66B, LEU153A, LEU153B, LEU231A, LEU231B, LEU243A, LEU243B, LEU258A, LEU258B, LEU30A, LEU30B, LEU54A, LEU54B, LEU58A, LEU58B, LYS230A, LYS230B, LYS232A, LYS232B, LYS44A, LYS44B, LYS46A, LYS46B, LYS48A, LYS48B, LYS64A, LYS64B, LYS65A, LYS65B, MET28A, MET28B, PHE158A, PHE158B, PHE236A, PHE236B, PHE43A, PHE43B, PHE60A, PHE60B, PRO259A, PRO259B, PRO59A, PRO59B, PRO63A, PRO63B, SER152A, SER152B, SER161A, SER161B, SER172A, SER172B, SER22A, SER22B, SER23A, SER23B, SER55A, SER55B, SER62A, SER62B, SER68A, SER68B, THR151A, THR151B, THR155A, THR155B, THR235A, THR235B, THR241A, THR241B, THR47A, THR47B, THR61A, THR61B, TYR237A, TYR237B, TYR24A, TYR24B, TYR26A, TYR26B, VAL168A, VAL168B, VAL173A, VAL173B, VAL20A, VAL20B, VAL221A, VAL221B, VAL257A, VAL257B, VAL29A, VAL29B
• C-D: ALA249C, ALA249D, ALA256C, ALA256D, ALA34C, ALA34D, ALA77D, ARG245C, ARG245D, ARG283C, ARG283D, ASN252C, ASN252D, ASN255C, ASN255D, ASN282C, ASN282D, ASN284C, ASN284D, ASP253C, ASP253D, ASP76D, ASP78C, ASP78D, ASP8C, ASP8D, GLN10C, GLN10D, GLN31C, GLN31D, GLN35C, GLN35D, GLU254C, GLU254D, GLU36C, GLU36D, GLY32C, GLY32D, HIS9C, HIS9D, ILE120C, ILE120D, ILE250C, ILE250D, ILE33C, ILE33D, LEU251C, LEU251D, LEU79C, LEU79D, LYS11C, LYS11D, LYS248C, LYS248D, LYS64C, LYS64D, LYS65C, LYS65D, LYS7C, LYS7D, PRO63C, PRO63D, SER62C, SER62D, THR61C
• C-E: ALA156C, ALA156E, ALA163C, ALA163E, ALA170C, ALA170E, ALA19C, ALA19E, ALA224C, ALA224E, ALA225C, ALA225E, ALA234C, ALA234E, ALA240C, ALA240E, ALA242C, ALA242E, ALA244C, ALA244E, ALA25C, ALA25E, ALA27C, ALA27E, ALA51C, ALA51E, ALA57C, ALA57E, ARG157C, ARG157E, ARG159C, ARG159E, ARG171C, ARG171E, ARG245C, ARG245E, ASN167C, ASN167E, ASN56C, ASN56E, ASP154C, ASP154E, ASP169C, ASP169E, ASP17C, ASP17E, ASP220C, ASP220E, ASP45C, ASP45E, ASP50C, ASP50E, ASP53C, ASP53E, GLN160C, GLN160E, GLN31C, GLN31E, GLU164C, GLU164E, GLU227C, GLU227E, GLY18C, GLY18E, GLY21C, GLY21E, GLY233C, GLY233E, GLY238C, GLY238E, GLY32C, GLY32E, GLY49C, GLY49E, ILE162E, ILE228C, ILE228E, ILE229C, ILE229E, ILE239C, ILE239E, ILE246C, ILE246E, ILE33C, ILE33E, ILE39C, ILE39E, ILE52C, ILE52E, ILE66C, ILE66E, LEU153C, LEU153E, LEU231C, LEU231E, LEU243C, LEU243E, LEU258C, LEU258E, LEU30C, LEU30E, LEU54C, LEU54E, LEU58C, LEU58E, LYS230C, LYS230E, LYS232C, LYS232E, LYS248C, LYS248E, LYS44C, LYS44E, LYS46C, LYS46E, LYS48C, LYS48E, LYS64C, LYS64E, LYS65C, LYS65E, MET28C, MET28E, PHE158C, PHE158E, PHE236C, PHE236E, PHE43C, PHE43E, PHE60C, PHE60E, PRO259C, PRO259E, PRO59C, PRO59E, PRO63C, PRO63E, SER152C, SER152E, SER161C, SER161E, SER172C, SER172E, SER22C, SER22E, SER23C, SER23E, SER55C, SER55E, SER62C, SER62E, SER68C, SER68E, THR151C, THR151E, THR155C, THR155E, THR235C, THR235E, THR241C, THR241E, THR47C, THR47E, THR61C, THR61E, TYR237C, TYR237E, TYR24C, TYR24E, TYR26C, TYR26E, VAL168C, VAL168E, VAL173C, VAL173E, VAL20C, VAL20E, VAL221C, VAL221E, VAL257C, VAL257E, VAL29C, VAL29E
• C-F: ALA163C, ALA163F, ALA170C, ALA170F, ALA175C, ALA175F, ALA192C, ALA192F, ALA200C, ALA200F, ALA205C, ALA205F, ALA249C, ALA249F, ALA256C, ALA256F, ALA279C, ALA279F, ARG159C, ARG159F, ARG171C, ARG171F, ARG245C, ARG245F, ARG283C, ASN167C, ASN167F, ASN193C, ASN193F, ASN252C, ASN252F, ASN255C, ASN255F, ASN282C, ASN282F, ASN288C, ASN288F, ASP169C, ASP169F, ASP253C, ASP253F, GLN287C, GLN287F, GLU201C, GLU201F, GLU254C, GLU254F, GLU291C, GLU291F, GLY195C, GLY195F, GLY196C, GLY196F, HIS174C, HIS174F, HIS191C, HIS191F, HIS206C, HIS206F, ILE194C, ILE194F, ILE281C, ILE281F, ILE289C, ILE289F, ILE292C, ILE292F, LEU258C, LEU258F, LEU290C, LEU290F, LEU294C, LEU294F, LYS204C, LYS204F, LYS248C, LYS248F, PRO278C, PRO278F, PRO293C, PRO293F, SER172C, SER172F, SER190C, SER190F, THR198C, THR198F, TRP202C, TRP202F, TYR176C, TYR176F, TYR268C, TYR268F, VAL166C, VAL166F, VAL168C, VAL168F, VAL173C, VAL173F, VAL188C, VAL188F, VAL197C, VAL197F, VAL257C, VAL257F, VAL280C, VAL280F
• D-E: ALA163D, ALA163E, ALA170D, ALA170E, ALA175D, ALA192E, ALA205E, ALA249D, ALA249E, ALA256D, ALA256E, ALA279D, ALA279E, ARG159D, ARG159E, ARG171D, ARG171E, ARG245D, ARG245E, ARG283D, ASN167D, ASN167E, ASN193D, ASN193E, ASN252D, ASN252E, ASN255D, ASN255E, ASN282D, ASN282E, ASN288D, ASN288E, ASP169D, ASP169E, ASP253D, ASP253E, GLN287D, GLN287E, GLU201D, GLU201E, GLU254D, GLU254E, GLU291D, GLU291E, GLY195D, GLY195E, GLY196D, GLY196E, HIS174D, HIS174E, HIS191D, HIS191E, HIS206D, HIS206E, ILE194D, ILE194E, ILE199E, ILE281D, ILE281E, ILE289D, ILE289E, ILE292D, ILE292E, LEU258D, LEU258E, LEU290D, LEU290E, LYS204E, LYS248D, LYS248E, PRO259D, PRO259E, PRO278D, PRO278E, PRO293D, PRO293E, SER172D, SER172E, SER190D, THR198D, THR198E, THR277D, THR277E, TRP202D, TRP202E, TYR176D, TYR176E, TYR268D, TYR268E, VAL166D, VAL166E, VAL168D, VAL168E, VAL173D, VAL173E, VAL188D, VAL188E, VAL197D, VAL197E, VAL257D, VAL257E, VAL280D, VAL280E
• D-F: ALA156D, ALA156F, ALA163D, ALA163F, ALA170D, ALA170F, ALA19D, ALA19F, ALA224D, ALA224F, ALA225D, ALA225F, ALA234D, ALA234F, ALA240D, ALA240F, ALA242D, ALA242F, ALA244D, ALA244F, ALA25D, ALA25F, ALA27D, ALA27F, ALA51D, ALA51F, ALA57D, ALA57F, ARG157D, ARG157F, ARG159D, ARG159F, ARG171D, ARG171F, ARG245D, ARG245F, ASN167D, ASN167F, ASN56D, ASN56F, ASP154D, ASP154F, ASP169D, ASP169F, ASP17D, ASP17F, ASP220D, ASP220F, ASP45D, ASP45F, ASP50D, ASP50F, ASP53D, ASP53F, GLN160D, GLN160F, GLN31D, GLN31F, GLU164D, GLU164F, GLU227D, GLU227F, GLY18D, GLY18F, GLY21D, GLY21F, GLY233D, GLY233F, GLY238D, GLY238F, GLY32D, GLY32F, GLY49D, GLY49F, ILE162F, ILE228D, ILE228F, ILE229D, ILE229F, ILE239D, ILE239F, ILE246D, ILE246F, ILE33D, ILE33F, ILE39D, ILE39F, ILE52D, ILE52F, ILE66D, ILE66F, LEU153D, LEU153F, LEU231D, LEU231F, LEU243D, LEU243F, LEU258D, LEU258F, LEU260D, LEU30D, LEU30F, LEU54D, LEU54F, LEU58D, LEU58F, LYS230D, LYS230F, LYS232D, LYS232F, LYS44D, LYS44F, LYS46D, LYS46F, LYS48D, LYS48F, LYS64D, LYS64F, LYS65D, LYS65F, MET28D, MET28F, PHE158D, PHE158F, PHE236D, PHE236F, PHE43D, PHE43F, PHE60D, PHE60F, PRO259D, PRO259F, PRO59D, PRO59F, PRO63D, PRO63F, SER152D, SER152F, SER161D, SER161F, SER172D, SER172F, SER22D, SER22F, SER23D, SER23F, SER55D, SER55F, SER62D, SER62F, SER68D, SER68F, THR151D, THR151F, THR155D, THR155F, THR235D, THR235F, THR241D, THR241F, THR47D, THR47F, THR61D, THR61F, TYR237D, TYR237F, TYR24D, TYR24F, TYR26D, TYR26F, VAL168D, VAL168F, VAL173D, VAL173F, VAL20D, VAL20F, VAL221D, VAL221F, VAL257D, VAL29D, VAL29F
• E-F: ALA249E, ALA249F, ALA256E, ALA256F, ALA34E, ALA34F, ARG145F, ARG245E, ARG245F, ARG283E, ARG283F, ASN118F, ASN252E, ASN252F, ASN255E, ASN255F, ASN282E, ASN282F, ASN284E, ASN284F, ASP253E, ASP253F, ASP78E, ASP78F, ASP8E, ASP8F, GLN10E, GLN10F, GLN31E, GLN31F, GLN35E, GLN35F, GLU254E, GLU254F, GLU36E, GLU36F, GLY119F, GLY285F, GLY32E, GLY32F, HIS9E, HIS9F, ILE120E, ILE120F, ILE250E, ILE250F, ILE33E, ILE33F, LEU251E, LEU251F, LEU79E, LEU79F, LYS11E, LYS11F, LYS248E, LYS248F, LYS64E, LYS64F, LYS65E, LYS65F, LYS7E, LYS7F, PRO63E, PRO63F, SER62E, SER62F, THR61E