3LDW

crystal structure of plasmodium vivax geranylgeranylpyrophosphate synthase pvx_092040 with zoledronate and ipp bound

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 272
  • Norm. En. per Res.: -3.9261
• 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	-134.7644	6.6324	-939.756	-1067.888	272	27	42	39740	8	98	103
A-C	-12.9126	-14.3109	-48.0199	-75.2434	56	5	4	3049	3	16	7
A-D	0.0	0.0	-18.39	-18.39	15	0	1	931	0	0	0
B-C	0.0	0.0	-21.9938	-21.9938	20	1	1	1087	0	0	0
B-D	-27.8949	-33.6241	-67.4592	-128.9783	65	5	4	3516	4	16	8
C-D	-114.8788	3.6035	-919.093	-1030.3683	271	20	43	38440	8	99	105

Interface residues

• A-B: ALA121A, ALA121B, ALA125A, ALA125B, ALA152A, ALA152B, ALA182A, ALA182B, ALA187A, ALA187B, ARG172A, ARG172B, ARG185A, ARG185B, ARG211B, ASN151A, ASN151B, ASN154A, ASN154B, ASN161A, ASN161B, ASN173B, ASN200A, ASN200B, ASN216A, ASN216B, ASN217A, ASN217B, ASN219A, ASN219B, ASN229A, ASN229B, ASN232A, ASN232B, ASN238A, ASN238B, ASN308A, ASN308B, ASN309A, ASN309B, ASN53A, ASN53B, ASN76A, ASP126A, ASP126B, ASP130A, ASP130B, ASP146A, ASP146B, ASP155A, ASP155B, ASP179A, ASP179B, ASP186A, ASP186B, ASP198A, ASP198B, ASP204A, ASP204B, ASP214A, ASP214B, ASP227A, ASP227B, ASP74A, ASP74B, CYS140A, CYS140B, GLN195A, GLN195B, GLN223B, GLU133A, GLU133B, GLU148A, GLU148B, GLU168A, GLU168B, GLU212A, GLU212B, GLU222A, GLU222B, GLU273A, GLU273B, GLU54A, GLU54B, GLU58A, GLU58B, GLU59A, GLU59B, GLU60A, GLU60B, GLU63A, GLU63B, GLY194A, GLY194B, GLY234A, GLY234B, HIS196A, HIS196B, HIS210B, HIS242A, HIS242B, HIS51A, HIS51B, HIS64A, HIS64B, ILE128A, ILE128B, ILE163A, ILE163B, ILE167A, ILE167B, ILE169A, ILE181A, ILE181B, ILE192A, ILE192B, ILE193A, ILE193B, ILE201A, ILE201B, ILE213A, ILE213B, ILE218A, ILE218B, ILE239A, ILE239B, ILE241A, ILE241B, ILE61A, ILE61B, ILE65A, ILE65B, LEU118A, LEU118B, LEU143A, LEU143B, LEU144A, LEU144B, LEU157A, LEU157B, LEU158A, LEU158B, LEU159A, LEU159B, LEU166A, LEU166B, LEU189A, LEU189B, LEU197A, LEU197B, LEU311A, LEU311B, LEU49A, LEU49B, LEU52A, LEU52B, LEU57A, LEU57B, LEU71A, LEU71B, LEU72A, LEU72B, LYS131A, LYS131B, LYS138A, LYS138B, LYS145A, LYS145B, LYS150A, LYS150B, LYS165A, LYS165B, LYS190A, LYS190B, LYS205A, LYS205B, LYS237A, LYS237B, LYS243A, LYS243B, LYS310A, LYS310B, LYS62A, LYS62B, LYS67A, LYS67B, LYS70A, LYS70B, MET129A, MET129B, MET134A, MET134B, MET230A, MET230B, MET277A, MET277B, PHE122A, PHE122B, PHE184A, PHE184B, PHE233A, PHE233B, PHE48A, PHE48B, PHE73A, PHE73B, PRO221A, PRO221B, PRO224A, PRO224B, SER162A, SER162B, SER203A, SER203B, SER207A, SER207B, SER56A, SER56B, SER66A, SER66B, THR149A, THR149B, THR183A, THR183B, THR188A, THR188B, THR191A, THR191B, THR199A, THR199B, TRP141A, TRP141B, TYR139A, TYR139B, TYR142A, TYR142B, TYR160A, TYR160B, TYR164A, TYR164B, TYR177A, TYR177B, TYR206A, TYR206B, TYR236A, TYR236B, TYR246A, TYR246B, TYR55A, TYR55B, TYR68A, TYR68B, TYR69A, TYR69B, TYR75A, TYR75B, VAL124A, VAL124B, VAL147A, VAL147B, VAL153A, VAL153B, VAL156A, VAL156B, VAL178A, VAL178B, VAL215A, VAL215B, VAL220A, VAL220B, VAL235A, VAL235B
• A-C: ALA340A, ALA340C, ARG355C, ASN219A, ASN337A, ASN337C, ASN338A, ASN338C, ASP291A, ASP291C, ASP295C, ASP346A, ASP346C, CYS341A, CYS341C, GLN307A, GLN307C, GLU133A, GLU133C, GLU350C, GLY294C, GLY303A, GLY303C, ILE292A, ILE292C, ILE306A, ILE306C, LEU143A, LEU339A, LEU339C, LYS131A, LYS145A, LYS145C, LYS332C, LYS336A, LYS336C, LYS343A, LYS343C, MET134A, MET134C, PHE293C, PRO221A, PRO221C, SER296A, SER296C, SER304A, SER347A, SER347C, THR297A, TYR139A, TYR349C, VAL302A, VAL302C, VAL342A, VAL342C, VAL344C
• A-D: ASN217A, ASN217D, ASN219A, ASN219D, GLN223A, GLN223D, GLU222A, GLU222D, ILE218A, ILE218D, PRO221A, PRO221D, PRO224A, VAL220A, VAL220D
• B-C: ASN217C, ASN219B, ASN219C, ASN338B, ASN338C, GLN223B, GLN223C, GLU222B, GLU222C, ILE218B, ILE218C, LYS336B, LYS336C, PRO221B, PRO221C, PRO224B, PRO224C, VAL220B, VAL220C, VAL225B
• B-D: ALA340B, ALA340D, ARG355B, ASN219D, ASN308D, ASN337B, ASN337D, ASN338B, ASN338D, ASP291B, ASP291D, ASP295B, ASP305D, ASP346B, ASP346D, CYS341B, CYS341D, GLN223B, GLN223D, GLN307B, GLN307D, GLU133B, GLU133D, GLU350B, GLY132D, GLY294B, GLY303B, GLY303D, ILE292B, ILE292D, ILE306B, ILE306D, ILE345B, ILE345D, LEU143D, LEU339B, LEU339D, LYS131D, LYS145B, LYS145D, LYS332B, LYS336D, LYS343B, LYS343D, MET134D, PHE293B, PRO221B, PRO221D, SER296B, SER296D, SER304B, SER304D, SER347B, SER347D, THR297D, TYR139B, TYR349B, TYR349D, VAL220D, VAL302B, VAL302D, VAL342B, VAL342D, VAL344B, VAL344D
• C-D: ALA121C, ALA121D, ALA125C, ALA125D, ALA152C, ALA152D, ALA182C, ALA182D, ALA187C, ALA187D, ARG172C, ARG172D, ARG185C, ARG185D, ARG211D, ASN151C, ASN151D, ASN154C, ASN154D, ASN161C, ASN161D, ASN173C, ASN173D, ASN200C, ASN200D, ASN216C, ASN216D, ASN217C, ASN217D, ASN219C, ASN219D, ASN229C, ASN229D, ASN232C, ASN232D, ASN238C, ASN238D, ASN308C, ASN308D, ASN309C, ASN309D, ASN53C, ASN53D, ASP126C, ASP126D, ASP130C, ASP130D, ASP146C, ASP146D, ASP155C, ASP155D, ASP179C, ASP179D, ASP186C, ASP186D, ASP198C, ASP198D, ASP204C, ASP204D, ASP214C, ASP214D, ASP227C, ASP227D, ASP74C, ASP74D, CYS140C, CYS140D, GLN195C, GLN195D, GLN223D, GLU133C, GLU133D, GLU148C, GLU148D, GLU168C, GLU168D, GLU212C, GLU212D, GLU222C, GLU222D, GLU273C, GLU273D, GLU54C, GLU54D, GLU58C, GLU58D, GLU59C, GLU59D, GLU60C, GLU60D, GLU63C, GLU63D, GLY194C, GLY194D, GLY234C, GLY234D, HIS196C, HIS196D, HIS210D, HIS242C, HIS242D, HIS51C, HIS51D, HIS64C, HIS64D, ILE128C, ILE128D, ILE163C, ILE163D, ILE167C, ILE167D, ILE169C, ILE181C, ILE181D, ILE192C, ILE192D, ILE193C, ILE193D, ILE201C, ILE201D, ILE213C, ILE213D, ILE218C, ILE218D, ILE239C, ILE239D, ILE241C, ILE241D, ILE61C, ILE61D, ILE65C, ILE65D, LEU118C, LEU118D, LEU143C, LEU143D, LEU144C, LEU144D, LEU157C, LEU157D, LEU158C, LEU158D, LEU159C, LEU159D, LEU166C, LEU166D, LEU189C, LEU189D, LEU197C, LEU197D, LEU311C, LEU311D, LEU49C, LEU49D, LEU52C, LEU52D, LEU57C, LEU57D, LEU71C, LEU71D, LEU72C, LEU72D, LYS131C, LYS131D, LYS138C, LYS138D, LYS145C, LYS145D, LYS150C, LYS150D, LYS165C, LYS165D, LYS190C, LYS190D, LYS205C, LYS205D, LYS237C, LYS237D, LYS243C, LYS243D, LYS270C, LYS310C, LYS310D, LYS62C, LYS62D, LYS67C, LYS67D, MET129C, MET129D, MET134C, MET134D, MET230C, MET230D, MET277C, MET277D, PHE122C, PHE122D, PHE184C, PHE184D, PHE233C, PHE233D, PHE48C, PHE48D, PHE73C, PHE73D, PRO221C, PRO221D, PRO224C, PRO224D, SER162C, SER162D, SER203C, SER203D, SER207C, SER207D, SER56C, SER56D, SER66C, SER66D, THR149C, THR149D, THR183C, THR183D, THR188C, THR188D, THR191C, THR191D, THR199C, THR199D, TRP141C, TRP141D, TYR139C, TYR139D, TYR142C, TYR142D, TYR160C, TYR160D, TYR164C, TYR164D, TYR177C, TYR177D, TYR206C, TYR206D, TYR236C, TYR236D, TYR246C, TYR246D, TYR55C, TYR55D, TYR68C, TYR68D, TYR69C, TYR69D, TYR75C, TYR75D, VAL124C, VAL124D, VAL147C, VAL147D, VAL153C, VAL153D, VAL156C, VAL156D, VAL178C, VAL178D, VAL215C, VAL215D, VAL220C, VAL220D, VAL235C, VAL235D