3GVH

crystal structure of lactate/malate dehydrogenase from brucella melitensis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 109
  • Norm. En. per Res.: -5.3222
• 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	-128.5431	-32.3883	-590.682	-751.6135	187	15	15	23115	2	48	52
A-C	-117.9616	-136.0872	-326.071	-580.1198	109	15	14	12815	9	38	37
A-D	-67.1262	-64.5868	-75.4904	-207.2034	60	8	2	3384	6	50	42
B-C	-36.517	-59.4675	-77.1898	-173.1743	59	3	2	3276	6	49	40
B-D	-83.3941	-148.1437	-327.232	-558.7698	110	12	14	13084	8	40	37
C-D	-115.1976	-13.4256	-588.772	-717.3952	185	13	15	23208	3	48	51

Interface residues

• A-B: ALA151A, ALA151B, ALA19A, ALA19B, ALA231A, ALA231B, ALA234A, ALA234B, ALA236A, ALA236B, ALA237A, ALA237B, ALA239A, ALA239B, ALA36A, ALA36B, ALA48A, ALA48B, ALA58A, ALA58B, ARG152A, ARG152B, ARG154A, ARG154B, ARG214A, ARG214B, ARG252A, ARG252B, ARG3A, ARG3B, ASN162A, ASN162B, ASP149A, ASP149B, ASP167A, ASP167B, ASP46A, ASP46B, ASP54A, ASP54B, ASP57A, ASP57B, GLN241A, GLN241B, GLN41A, GLN41B, GLU159A, GLU159B, GLU166A, GLU166B, GLU221A, GLU221B, GLU244A, GLU244B, GLU26A, GLU26B, GLU37A, GLU37B, GLU49A, GLU49B, GLY12A, GLY12B, GLY15A, GLY15B, GLY16A, GLY16B, GLY218A, GLY218B, GLY219A, GLY219B, GLY224A, GLY224B, GLY229A, GLY38A, GLY38B, GLY42A, GLY42B, GLY44A, GLY44B, GLY55A, GLY55B, GLY62A, GLY62B, HIS20A, HIS20B, ILE14A, ILE14B, ILE222A, ILE222B, ILE240A, ILE240B, ILE47A, ILE47B, LEU148A, LEU148B, LEU157A, LEU157B, LEU18A, LEU18B, LEU21A, LEU21B, LEU225A, LEU225B, LEU226A, LEU226B, LEU24A, LEU24B, LEU254A, LEU254B, LEU32A, LEU32B, LEU45A, LEU45B, LYS227A, LYS227B, LYS25A, LYS25B, LYS43A, LYS43B, LYS59A, LYS59B, MET13A, MET13B, MET242A, MET242B, PHE153A, PHE153B, PHE156A, PHE156B, PHE232A, PHE232B, PHE56A, PHE56B, PHE60A, PHE60B, PRO235A, PRO235B, PRO40A, PRO40B, PRO52A, PRO52B, SER11A, SER11B, SER150A, SER150B, SER158A, SER158B, SER164A, SER164B, SER230A, SER230B, SER238A, SER238B, SER50A, SER50B, SER51A, SER51B, THR169A, THR169B, THR17A, THR17B, THR215A, THR215B, THR228A, THR228B, THR39A, THR39B, THR61A, THR61B, TYR155A, TYR155B, TYR233A, TYR233B, VAL147A, VAL147B, VAL163A, VAL163B, VAL165A, VAL165B, VAL168A, VAL168B, VAL170A, VAL170B, VAL223A, VAL223B, VAL53A, VAL53B
• A-C: ALA190A, ALA190C, ARG154A, ARG154C, ARG185A, ARG185C, ARG252A, ARG252C, ARG284A, ARG284C, ASN162A, ASN162C, ASP167A, ASP167C, ASP196A, ASP196C, ASP249A, ASP249C, ASP289A, ASP289C, GLN241A, GLN241C, GLU160A, GLU160C, GLU166A, GLU166C, GLU244C, GLU283A, GLU283C, GLU287A, GLU287C, GLY191A, GLY191C, GLY201C, GLY278C, ILE192A, ILE192C, ILE277A, ILE277C, ILE285A, ILE285C, ILE286A, ILE286C, ILE288A, ILE288C, LEU173A, LEU173C, LEU183A, LEU183C, LEU197A, LEU197C, LEU254A, LEU254C, LYS199A, LYS199C, LYS250A, LYS250C, LYS251A, LYS251C, MET200A, MET200C, PHE161A, PHE161C, PHE171A, PHE171C, PRO193A, PRO193C, PRO195A, PRO195C, PRO255A, PRO255C, PRO274A, PRO274C, SER158A, SER158C, SER164A, SER164C, SER187A, SER187C, SER245A, SER245C, THR169A, THR169C, THR188A, THR188C, THR275A, THR275C, TRP202A, TRP202C, TYR186A, TYR186C, TYR264A, TYR264C, VAL163A, VAL163C, VAL165A, VAL165C, VAL168A, VAL168C, VAL170A, VAL170C, VAL172A, VAL172C, VAL189A, VAL189C, VAL253A, VAL253C, VAL276A, VAL276C
• A-D: ALA279A, ALA279D, ALA2A, ALA2D, ALA58A, ALA58D, ARG252A, ARG252D, ARG3A, ARG3D, ASN280A, ASN280D, ASN4A, ASN4D, ASP249A, ASP249D, ASP29A, ASP29D, ASP54A, ASP54D, ASP57A, ASP57D, GLU166A, GLU166D, GLU244A, GLU244D, GLU26A, GLU26D, GLY278A, GLY278D, GLY28A, GLY28D, GLY55A, GLY55D, LEU247A, LEU247D, LEU27A, LEU27D, LYS248A, LYS248D, LYS250A, LYS250D, LYS251A, LYS251D, LYS25A, LYS25D, LYS59A, LYS59D, PHE56A, PHE56D, PRO52A, PRO52D, SER245A, SER245D, SER51A, SER51D, TYR246A, TYR246D, VAL53A, VAL53D
• B-C: ALA279B, ALA279C, ALA2B, ALA2C, ALA58B, ALA58C, ARG252B, ARG252C, ARG3B, ARG3C, ASN280B, ASN280C, ASN4B, ASN4C, ASP249B, ASP249C, ASP29B, ASP29C, ASP54B, ASP54C, ASP57B, ASP57C, GLU166B, GLU166C, GLU244B, GLU244C, GLU26B, GLU26C, GLU283C, GLY278B, GLY278C, GLY28B, GLY28C, GLY55B, GLY55C, LEU247B, LEU247C, LEU24B, LEU27B, LEU27C, LYS248B, LYS248C, LYS250B, LYS250C, LYS251B, LYS251C, LYS25B, LYS25C, LYS59B, LYS59C, PHE56B, PHE56C, SER245B, SER245C, SER51C, TYR246B, TYR246C, VAL53B, VAL53C
• B-D: ALA190B, ALA190D, ARG154B, ARG154D, ARG185B, ARG185D, ARG252B, ARG252D, ARG284B, ARG284D, ASN162B, ASN162D, ASP167B, ASP167D, ASP196B, ASP196D, ASP249B, ASP249D, ASP289B, ASP289D, GLN241B, GLN241D, GLU160B, GLU160D, GLU166B, GLU166D, GLU244D, GLU283B, GLU283D, GLU287B, GLU287D, GLY191B, GLY191D, GLY201D, GLY278B, GLY278D, ILE192B, ILE192D, ILE277B, ILE277D, ILE285B, ILE285D, ILE286B, ILE286D, ILE288B, ILE288D, LEU173B, LEU173D, LEU183B, LEU183D, LEU197B, LEU197D, LEU254B, LEU254D, LYS199B, LYS199D, LYS250B, LYS250D, LYS251B, LYS251D, MET200B, MET200D, PHE161B, PHE161D, PHE171B, PHE171D, PRO193B, PRO193D, PRO255B, PRO255D, PRO274B, PRO274D, SER150B, SER158B, SER158D, SER164B, SER164D, SER187B, SER187D, SER245B, SER245D, THR169B, THR169D, THR188B, THR188D, THR203D, THR275B, THR275D, TRP202B, TRP202D, TYR186B, TYR186D, TYR264B, TYR264D, VAL163B, VAL163D, VAL165B, VAL165D, VAL168B, VAL168D, VAL170B, VAL170D, VAL172B, VAL172D, VAL189B, VAL189D, VAL253B, VAL253D, VAL276B, VAL276D
• C-D: ALA151C, ALA151D, ALA19C, ALA19D, ALA231C, ALA231D, ALA234C, ALA234D, ALA236C, ALA236D, ALA237C, ALA237D, ALA239C, ALA239D, ALA36C, ALA36D, ALA48C, ALA48D, ALA58C, ALA58D, ARG152C, ARG152D, ARG154C, ARG154D, ARG214C, ARG214D, ARG252C, ARG252D, ARG3C, ARG3D, ASN162C, ASN162D, ASP149C, ASP149D, ASP167C, ASP167D, ASP46C, ASP46D, ASP54C, ASP54D, ASP57C, ASP57D, GLN241C, GLN241D, GLN41C, GLN41D, GLU159C, GLU159D, GLU166C, GLU166D, GLU221C, GLU221D, GLU244C, GLU244D, GLU26C, GLU26D, GLU37C, GLU37D, GLU49C, GLU49D, GLY12C, GLY12D, GLY15C, GLY15D, GLY16C, GLY16D, GLY218C, GLY218D, GLY219C, GLY219D, GLY224C, GLY224D, GLY38C, GLY38D, GLY42C, GLY42D, GLY44C, GLY44D, GLY55C, GLY55D, GLY62C, GLY62D, HIS20C, HIS20D, ILE14C, ILE14D, ILE222C, ILE222D, ILE240C, ILE240D, ILE47C, ILE47D, LEU148C, LEU148D, LEU157C, LEU157D, LEU18C, LEU18D, LEU21C, LEU21D, LEU225C, LEU225D, LEU226C, LEU226D, LEU24C, LEU24D, LEU254C, LEU254D, LEU32C, LEU32D, LEU45C, LEU45D, LYS227C, LYS227D, LYS25C, LYS25D, LYS43C, LYS43D, LYS59C, LYS59D, MET13C, MET13D, MET242C, MET242D, PHE153C, PHE153D, PHE156C, PHE156D, PHE232C, PHE232D, PHE56C, PHE56D, PHE60C, PHE60D, PRO235C, PRO235D, PRO40C, PRO40D, PRO52C, PRO52D, SER11C, SER11D, SER150C, SER150D, SER158C, SER158D, SER164C, SER164D, SER230C, SER230D, SER238C, SER238D, SER50C, SER50D, SER51C, SER51D, THR169C, THR169D, THR17C, THR17D, THR215C, THR215D, THR228C, THR228D, THR39C, THR39D, THR61D, TYR155C, TYR155D, TYR233C, TYR233D, VAL147C, VAL147D, VAL163C, VAL163D, VAL165C, VAL165D, VAL168C, VAL168D, VAL170C, VAL170D, VAL223C, VAL223D, VAL53C, VAL53D