3GVI

crystal structure of lactate/malate dehydrogenase from brucella melitensis in complex with adp

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 2
  • Norm. En. per Res.: -10.5591
• 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	-74.5109	-56.6758	-75.7911	-206.9779	59	7	2	3348	6	50	40
A-C	-66.1155	-139.0896	-307.881	-513.086	106	10	13	12953	8	39	37
A-D	-117.0195	-12.4663	-606.019	-735.5048	186	17	14	23364	2	48	53
B-C	-120.6997	-15.9788	-601.065	-737.7435	186	22	15	23409	3	48	51
B-D	-66.5275	-119.7991	-293.023	-479.3497	108	13	12	12389	8	38	36
B-E	-8.0211	-21.5373	-57.025	-86.5834	36	0	0	2473	4	10	12
B-F	0.0	0.0	-14.9039	-14.9039	22	1	0	864	0	8	11
C-D	-68.6465	-62.017	-81.6094	-212.2729	61	5	2	3357	6	48	41
C-E	-6.5865	-12.2648	-2.2669	-21.1182	2	0	0	68	1	3	5
D-E	0.0	0.0	-16.1178	-16.1178	24	1	0	858	0	8	11
D-F	0.0	73.3801	-42.883	30.4971	36	0	0	1688	0	20	18
E-F	-61.722	-126.2995	-285.522	-473.5435	108	12	12	12287	8	38	36

Interface residues

• A-B: ALA279A, ALA279B, ALA2A, ALA2B, ALA58A, ALA58B, ARG252A, ARG252B, ARG3A, ARG3B, ASN280A, ASN280B, ASN4A, ASN4B, ASP249A, ASP249B, ASP29A, ASP29B, ASP54A, ASP54B, ASP57A, ASP57B, GLU166A, GLU166B, GLU244A, GLU244B, GLU26A, GLU26B, GLY278A, GLY278B, GLY28A, GLY28B, GLY55A, GLY55B, LEU247A, LEU247B, LEU27A, LEU27B, LYS248A, LYS248B, LYS250A, LYS250B, LYS251A, LYS251B, LYS25A, LYS25B, LYS59A, LYS59B, PHE56A, PHE56B, PRO52B, SER245A, SER245B, SER51A, SER51B, TYR246A, TYR246B, 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, GLU244A, GLU283A, GLU283C, GLU287A, GLU287C, GLY191A, GLY191C, ILE192A, ILE192C, ILE277A, ILE277C, ILE285A, ILE285C, ILE286A, ILE286C, ILE288A, ILE288C, LEU173C, LEU183A, LEU183C, LEU197A, LEU197C, LEU254A, LEU254C, LYS199A, LYS199C, LYS248C, LYS250A, LYS250C, LYS251A, LYS251C, MET200A, MET200C, PHE161A, PHE161C, PHE171A, PHE171C, PRO193A, PRO193C, 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: ALA151A, ALA151D, ALA19A, ALA19D, ALA231A, ALA231D, ALA234A, ALA234D, ALA236A, ALA236D, ALA237A, ALA237D, ALA239A, ALA239D, ALA36A, ALA36D, ALA48A, ALA48D, ALA58A, ALA58D, ARG152A, ARG152D, ARG154A, ARG154D, ARG214A, ARG214D, ARG252A, ARG252D, ARG3A, ARG3D, ASN162A, ASN162D, ASP149A, ASP149D, ASP167A, ASP167D, ASP46A, ASP46D, ASP54A, ASP54D, ASP57A, ASP57D, GLN241A, GLN241D, GLN41A, GLN41D, GLU159A, GLU159D, GLU166A, GLU166D, GLU221A, GLU221D, GLU244A, GLU244D, GLU26A, GLU26D, GLU37A, GLU37D, GLU49A, GLU49D, GLY12A, GLY12D, GLY15A, GLY15D, GLY16A, GLY16D, GLY218A, GLY218D, GLY219A, GLY219D, GLY224A, GLY224D, GLY38A, GLY38D, GLY42A, GLY42D, GLY44A, GLY44D, GLY55A, GLY55D, GLY62A, GLY62D, HIS20A, HIS20D, ILE14A, ILE14D, ILE222A, ILE222D, ILE240A, ILE240D, ILE47A, ILE47D, LEU148A, LEU148D, LEU157A, LEU157D, LEU18A, LEU18D, LEU21A, LEU21D, LEU225A, LEU225D, LEU226A, LEU226D, LEU24A, LEU24D, LEU254A, LEU254D, LEU32A, LEU32D, LEU45A, LEU45D, LYS227A, LYS227D, LYS25A, LYS25D, LYS43A, LYS43D, LYS59A, LYS59D, MET13A, MET13D, MET242A, MET242D, PHE153A, PHE153D, PHE156A, PHE156D, PHE232A, PHE232D, PHE56A, PHE56D, PHE60A, PHE60D, PRO235A, PRO235D, PRO40A, PRO40D, PRO52A, PRO52D, SER11A, SER11D, SER150A, SER150D, SER158A, SER158D, SER164A, SER164D, SER230A, SER230D, SER238A, SER238D, SER50A, SER50D, SER51A, SER51D, THR169A, THR169D, THR17A, THR17D, THR215A, THR215D, THR228A, THR228D, THR39A, THR39D, THR61A, THR61D, TYR155A, TYR155D, TYR233A, TYR233D, VAL147A, VAL147D, VAL163A, VAL163D, VAL165A, VAL165D, VAL168A, VAL168D, VAL170A, VAL170D, VAL223A, VAL223D, VAL53A, VAL53D
• B-C: ALA151B, ALA151C, ALA19B, ALA19C, ALA231B, ALA231C, ALA234B, ALA234C, ALA236B, ALA236C, ALA237B, ALA237C, ALA239B, ALA239C, ALA36B, ALA36C, ALA48B, ALA48C, ALA58B, ALA58C, ARG152B, ARG152C, ARG154B, ARG154C, ARG214B, ARG214C, ARG252B, ARG252C, ARG3B, ARG3C, ASN162B, ASN162C, ASP149B, ASP149C, ASP167B, ASP167C, ASP46B, ASP46C, ASP54B, ASP54C, ASP57B, ASP57C, GLN241B, GLN241C, GLN41B, GLN41C, GLU159B, GLU159C, GLU166B, GLU166C, GLU221B, GLU221C, GLU244B, GLU244C, GLU26B, GLU26C, GLU37B, GLU37C, GLU49B, GLU49C, GLY12B, GLY12C, GLY15B, GLY15C, GLY16B, GLY16C, GLY218B, GLY218C, GLY219B, GLY219C, GLY224B, GLY224C, GLY38B, GLY38C, GLY42B, GLY42C, GLY44B, GLY44C, GLY55B, GLY55C, GLY62B, GLY62C, HIS20B, HIS20C, ILE14B, ILE14C, ILE222B, ILE222C, ILE240B, ILE240C, ILE47B, ILE47C, LEU148B, LEU148C, LEU157B, LEU157C, LEU18B, LEU18C, LEU21B, LEU21C, LEU225B, LEU225C, LEU226B, LEU226C, LEU24B, LEU24C, LEU254B, LEU254C, LEU32B, LEU32C, LEU45B, LEU45C, LYS227B, LYS227C, LYS25B, LYS25C, LYS43B, LYS43C, LYS59B, LYS59C, MET13B, MET13C, MET242B, MET242C, PHE153B, PHE153C, PHE156B, PHE156C, PHE232B, PHE232C, PHE56B, PHE56C, PHE60B, PHE60C, PRO235B, PRO235C, PRO40B, PRO40C, PRO52B, PRO52C, SER11B, SER11C, SER150B, SER150C, SER158B, SER158C, SER164B, SER164C, SER230B, SER230C, SER238B, SER238C, SER50B, SER50C, SER51B, SER51C, THR169B, THR169C, THR17B, THR17C, THR215B, THR215C, THR228B, THR228C, THR39B, THR39C, THR61B, THR61C, TYR155B, TYR155C, TYR233B, TYR233C, VAL147B, VAL147C, VAL163B, VAL163C, VAL165B, VAL165C, VAL168B, VAL168C, VAL170B, VAL170C, VAL223B, VAL223C, VAL53B, VAL53C
• B-D: ALA184B, ALA184D, 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, GLU283B, GLU283D, GLU287B, GLU287D, GLY191B, GLY191D, GLY201B, GLY278D, ILE192B, ILE192D, ILE277B, ILE277D, ILE285B, ILE285D, ILE286B, ILE286D, ILE288B, ILE288D, LEU173B, LEU183B, LEU183D, LEU197B, LEU197D, LEU254B, LEU254D, LYS199B, LYS199D, LYS250B, LYS250D, LYS251B, LYS251D, MET200B, MET200D, PHE161B, PHE161D, PHE171B, PHE171D, PRO193B, PRO193D, PRO195D, PRO255B, PRO255D, PRO274B, PRO274D, SER158B, SER158D, SER164B, SER164D, SER187B, SER187D, SER245B, SER245D, THR169B, THR169D, THR188B, THR188D, THR275B, THR275D, TRP202B, TRP202D, TYR186B, TYR186D, TYR264B, TYR264D, VAL163B, VAL163D, VAL165B, VAL165D, VAL168B, VAL168D, VAL170B, VAL170D, VAL172B, VAL172D, VAL189B, VAL189D, VAL253B, VAL253D, VAL276B, VAL276D
• B-E: ASN162B, ASN162E, ASP206B, ASP206E, GLN205B, GLN205E, GLU159B, GLU159E, GLU160B, GLU160E, GLY201B, GLY201E, ILE211B, ILE211E, LEU157B, LEU157E, LEU197B, LEU197E, LYS207B, LYS207E, MET200B, MET200E, PHE161B, PHE161E, SER158B, SER158E, SER204B, SER204E, THR203B, THR203E, TRP202B, TRP202E, VAL163B, VAL163E, VAL198B, VAL198E
• B-F: ARG284F, ASN280F, ASP206B, GLN205B, GLN263F, GLU283F, GLU287F, GLY201B, HIS139F, ILE285F, ILE286F, LEU197B, LYS199B, LYS251F, MET200B, SER204B, SER261F, THR203B, TRP202B, VAL198B, VAL276F, VAL282F
• C-D: ALA279C, ALA279D, ALA2C, ALA2D, ALA58C, ALA58D, ARG252C, ARG252D, ARG3C, ARG3D, ASN280C, ASN280D, ASN4C, ASN4D, ASP249C, ASP249D, ASP29C, ASP29D, ASP54C, ASP54D, ASP57C, ASP57D, GLU166C, GLU166D, GLU244C, GLU244D, GLU26C, GLU26D, GLY278C, GLY278D, GLY28C, GLY28D, GLY55C, GLY55D, LEU247C, LEU247D, LEU24C, LEU27C, LEU27D, LYS248C, LYS248D, LYS250C, LYS250D, LYS251C, LYS251D, LYS25C, LYS25D, LYS59C, LYS59D, PHE56C, PHE56D, PRO52C, PRO52D, SER245C, SER245D, SER51C, SER51D, TYR246C, TYR246D, VAL53C, VAL53D
• C-E: ASP206E, LYS59C
• D-E: ARG284D, ASN280D, ASP196E, ASP206E, GLN205E, GLN263D, GLU283D, GLU287D, GLY201E, HIS139D, ILE285D, ILE286D, LEU197E, LYS199E, LYS207E, LYS251D, MET200E, SER204E, SER261D, THR203E, TRP202E, VAL198E, VAL276D, VAL282D
• D-F: ARG185D, ARG185F, ASP289D, ASP289F, ASP291D, ASP291F, ASP293D, ASP293F, GLN263D, GLN263F, GLU287D, GLU287F, GLU294D, GLU294F, GLY262D, GLY262F, GLY265D, GLY265F, ILE285D, ILE285F, ILE288D, ILE288F, LEU290D, LEU290F, LYS267D, LYS267F, LYS292D, LYS292F, LYS295D, LYS295F, SER261D, SER261F, TYR264D, TYR264F, VAL266D, VAL266F
• E-F: ALA190E, ALA190F, ARG154E, ARG154F, ARG185E, ARG185F, ARG252E, ARG252F, ARG284E, ARG284F, ASN162E, ASN162F, ASP167E, ASP167F, ASP196E, ASP196F, ASP249E, ASP249F, ASP289E, ASP289F, GLN241E, GLN241F, GLU160E, GLU160F, GLU166E, GLU166F, GLU244E, GLU283E, GLU283F, GLU287E, GLU287F, GLY191E, GLY191F, GLY201E, GLY201F, GLY278E, GLY278F, ILE192E, ILE192F, ILE277E, ILE277F, ILE285E, ILE285F, ILE286E, ILE286F, ILE288E, ILE288F, LEU183E, LEU183F, LEU197E, LEU197F, LEU254E, LEU254F, LYS199E, LYS199F, LYS248F, LYS250E, LYS250F, LYS251E, LYS251F, MET200E, MET200F, PHE161E, PHE161F, PHE171E, PHE171F, PRO193E, PRO193F, PRO195F, PRO255E, PRO255F, PRO274E, PRO274F, SER158E, SER158F, SER164E, SER164F, SER187E, SER187F, SER245E, SER245F, THR169E, THR169F, THR188E, THR188F, THR275E, THR275F, TRP202E, TRP202F, TYR186E, TYR186F, TYR264E, VAL163E, VAL163F, VAL165E, VAL165F, VAL168E, VAL168F, VAL170E, VAL170F, VAL172E, VAL172F, VAL189E, VAL189F, VAL253E, VAL253F, VAL276E, VAL276F