3PQE

crystal structure of l-lactate dehydrogenase from bacillus subtilis with h171c mutation

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 175
  • Norm. En. per Res.: -4.3093
• 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	-42.5897	-1.3811	-156.81	-200.7807	95	12	8	7623	0	4	7
A-C	-26.4747	8.1963	-64.0704	-82.3488	37	6	0	2578	2	20	21
A-D	-88.9437	-76.7784	-588.403	-754.1251	175	22	12	21716	8	43	50
B-C	-81.5246	-75.8955	-570.509	-727.9291	176	20	12	21463	8	43	49
B-D	-17.7209	33.8639	-69.1572	-53.0142	34	6	0	2528	0	20	21
C-D	-47.8119	-8.9242	-167.982	-224.7181	101	16	8	7994	0	4	7

Interface residues

• A-B: ALA165A, ALA165B, ALA166A, ALA166B, ALA172A, ALA172B, ALA189A, ALA189B, ALA276A, ALA276B, ALA284A, ALA284B, ARG156A, ARG156B, ARG242A, ARG242B, ASN169A, ASN169B, ASN190A, ASN190B, ASN203B, ASN250A, ASN250B, ASN252A, ASN252B, ASN279A, ASN279B, ASN290A, ASN290B, CYS171A, CYS171B, GLN168A, GLN168B, GLU161A, GLU161B, GLU198A, GLU198B, GLU251A, GLU251B, GLU288A, GLU288B, GLY164A, GLY164B, GLY192A, GLY192B, GLY193A, GLY193B, GLY285A, GLY285B, HIS173A, HIS173B, HIS188A, HIS188B, ILE254A, ILE254B, ILE286A, ILE286B, LEU199A, LEU199B, LEU255A, LEU255B, LEU289A, LEU289B, LYS202A, LYS202B, PHE163A, PHE163B, PRO167A, PRO167B, PRO195A, PRO195B, PRO275A, PRO275B, SER160A, SER160B, SER187A, SER187B, SER253A, SER253B, THR287A, THR287B, TYR265A, TYR265B, VAL170A, VAL170B, VAL185A, VAL185B, VAL191A, VAL191B, VAL194A, VAL194B, VAL277A, VAL277B, VAL278A, VAL278B
• A-C: ALA74A, ARG280A, ARG280C, ASN250A, ASN250C, ASN252A, ASN2A, ASN2C, ASN6A, ASN6C, ASP31A, ASP31C, ASP73A, ASP75A, ASP75C, GLN59A, GLN59C, GLU251A, GLU251C, HIS249A, HIS249C, HIS4A, HIS4C, ILE247A, ILE76A, LEU248A, LEU248C, LYS245A, LYS245C, LYS3A, LYS3C, LYS7A, PRO60A, PRO60C, THR30A, VAL5A, VAL5C
• A-D: ALA13A, ALA13D, ALA153A, ALA153D, 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, ASN220A, ASN220D, ASN26A, ASN26D, ASN39D, ASN51A, ASN51D, ASP151A, ASP151D, ASP217A, ASP217D, ASP46A, ASP46D, ASP49A, ASP49D, GLN168A, GLN27A, GLN27D, GLN59A, GLN59D, GLU161A, GLU161D, GLU227A, GLU227D, GLU41A, GLU41D, GLY14A, GLY14D, GLY17A, GLY17D, GLY230A, GLY230D, GLY235A, GLY235D, GLY28A, GLY28D, GLY45A, GLY45D, GLY53A, GLY53D, HIS178A, HIS178D, HIS224A, HIS224D, HIS52A, HIS52D, ILE225A, ILE225D, ILE226A, ILE226D, ILE243A, ILE243D, ILE25A, ILE25D, ILE29A, ILE29D, LEU150A, LEU150D, LEU240A, LEU240D, LEU24A, LEU24D, LEU255A, LEU255D, LEU50A, LEU50D, LYS219A, LYS219D, 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, SER18A, SER18D, SER19A, SER19D, SER239A, SER239D, THR148A, THR148D, THR149A, THR149D, THR232A, THR232D, THR256A, THR256D, TYR20A, TYR20D, TYR223A, TYR223D, TYR233A, TYR233D, TYR234A, TYR234D, TYR65A, VAL16A, VAL16D, VAL218A, VAL218D, VAL236A, VAL236D, VAL47A, VAL47D, VAL61A, VAL61D
• B-C: ALA13B, ALA13C, ALA153B, ALA153C, 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, ASN220B, ASN220C, ASN26B, ASN26C, 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, HIS178B, HIS178C, HIS224B, HIS224C, HIS52B, HIS52C, ILE225B, ILE225C, ILE226B, ILE226C, ILE243B, ILE243C, ILE25B, ILE25C, ILE29B, ILE29C, LEU150B, LEU150C, LEU240B, LEU240C, LEU24B, LEU24C, LEU255B, LEU255C, LEU50B, LEU50C, LYS219B, LYS219C, 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, SER18B, SER18C, SER19B, SER19C, SER239B, SER239C, THR148B, THR148C, THR149B, THR149C, THR232B, THR232C, THR256B, THR256C, TYR20B, TYR20C, TYR223B, TYR223C, TYR233B, TYR233C, TYR234B, TYR234C, TYR65B, VAL16B, VAL16C, VAL218B, VAL218C, VAL236B, VAL236C, VAL47B, VAL47C, VAL61B, VAL61C
• B-D: ARG280B, ARG280D, ASN250B, ASN250D, ASN252B, ASN2B, ASN2D, ASN6B, ASN6D, ASP31B, ASP31D, ASP75B, ASP75D, GLN59B, GLN59D, GLU251B, GLU251D, HIS249B, HIS249D, HIS4B, HIS4D, ILE247B, ILE29B, LEU248B, LEU248D, LYS245B, LYS245D, LYS3B, LYS3D, PRO60B, PRO60D, THR30B, VAL5B, VAL5D
• C-D: ALA165C, ALA165D, ALA166C, ALA166D, ALA172C, ALA172D, ALA189C, ALA189D, ALA246C, ALA246D, ALA276C, ALA276D, ALA284C, ALA284D, ARG156C, ARG156D, ARG242C, ARG242D, ASN169C, ASN169D, ASN190C, ASN190D, ASN203C, ASN250C, ASN250D, ASN252C, ASN252D, ASN279C, ASN279D, ASN290C, ASN290D, CYS171C, CYS171D, GLN168C, GLN168D, GLN264C, GLN264D, GLU161C, GLU161D, GLU198C, GLU198D, GLU251C, GLU251D, GLU288C, GLU288D, GLY164C, GLY164D, GLY192C, GLY192D, GLY193C, GLY193D, GLY285C, GLY285D, HIS173C, HIS173D, HIS188C, HIS188D, ILE254C, ILE254D, ILE286C, ILE286D, LEU199C, LEU199D, LEU255C, LEU255D, LEU289C, LEU289D, LEU291D, LYS202C, LYS202D, LYS245C, PHE163C, PHE163D, PRO167C, PRO167D, PRO195C, PRO195D, PRO275C, PRO275D, SER160C, SER160D, SER187C, SER187D, SER253C, SER253D, THR287C, THR287D, TYR265C, TYR265D, VAL170C, VAL170D, VAL185C, VAL185D, VAL191C, VAL191D, VAL194C, VAL194D, VAL277C, VAL277D, VAL278C, VAL278D