3OAB

mint deletion mutant of heterotetrameric geranyl pyrophosphate synthase in complex with ligands

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 46
  • Norm. En. per Res.: -3.7438
• 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	-9.0864	-33.1218	-439.844	-482.0522	165	12	32	20162	7	46	50
A-C	-27.4479	-55.0452	-85.5562	-168.0493	48	5	2	3797	5	29	29
A-D	0.0	18.6059	-13.548	5.0579	8	0	0	425	0	6	5
B-C	0.0	0.0	-1.7041	-1.7041	5	1	0	84	0	0	2
B-D	-26.9691	-65.1575	-80.0898	-172.2163	46	4	2	3553	7	26	28
C-D	-16.1136	-24.6021	-416.261	-456.9768	158	9	28	19705	7	48	46

Interface residues

• A-B: ALA109A, ALA112A, ALA115A, ALA120A, ALA121B, ALA125A, ALA126A, ALA127A, ALA131A, ALA144A, ALA145B, ALA154A, ALA75B, ALA76B, ARG128B, ARG134B, ARG135A, ARG137B, ARG138A, ARG144B, ARG157B, ARG23B, ASN103B, ASP110B, ASP114A, ASP131B, ASP133B, ASP159A, ASP83A, ASP84A, ASP89A, CYS161A, CYS87A, GLN156A, GLU105B, GLU106A, GLU118B, GLU122A, GLU134A, GLU141B, GLU142A, GLU149B, GLU150A, GLU158B, GLU159B, GLU160B, GLU163A, GLU26B, GLU27A, GLU80B, GLY101B, GLY109B, GLY111B, GLY113A, GLY116B, GLY122B, GLY141A, GLY146B, GLY147B, GLY148A, GLY150B, GLY151A, GLY154B, GLY155A, GLY30B, HIS123A, HIS156B, HIS172A, HIS179A, HIS32A, HIS79B, HIS81B, HIS82A, ILE112B, ILE135B, ILE136A, ILE139B, ILE140B, ILE142B, ILE147A, ILE152B, ILE20B, ILE31A, ILE75A, LEU106B, LEU107B, LEU111A, LEU116A, LEU117A, LEU119B, LEU120B, LEU136B, LEU140A, LEU143A, LEU152A, LEU155B, LEU29A, LEU82B, LEU85A, LYS177B, LYS180A, LYS26A, LYS30A, MET151B, MET165A, MET32B, MET35A, MET78A, MET81A, MET88A, PHE104A, PHE115B, PHE117B, PHE119A, PHE121A, PHE175A, PHE29B, PRO102B, PRO114B, PRO126B, PRO132A, PRO132B, PRO133A, PRO148B, PRO24B, PRO25B, PRO28A, PRO31B, PRO83B, PRO86A, PRO94B, SER107A, SER118A, SER123B, SER143B, SER146A, SER149A, SER153B, SER162A, SER34A, SER79A, THR108B, THR128A, THR129B, THR27B, TYR100B, TYR173B, VAL104B, VAL108A, VAL110A, VAL113B, VAL124A, VAL124B, VAL137A, VAL138B, VAL139A, VAL145A, VAL153A, VAL157A, VAL158A, VAL160A, VAL23A, VAL28B, VAL72B, VAL78B
• A-C: ALA103A, ALA21A, ARG157C, ARG36A, ASN165C, ASN16A, ASP169C, GLN24A, GLU149C, GLU160C, GLU172C, GLU20A, GLU237C, GLU241C, GLU27A, GLU33A, GLY154C, HIS156C, HIS32A, ILE171C, ILE231C, LEU168C, LEU209C, LEU235C, LEU238C, LEU29A, LEU40A, LYS13A, LYS176C, LYS177C, LYS17A, LYS234C, LYS26A, LYS30A, MET25A, MET35A, PHE104A, PHE170C, PRO28A, SER153C, SER167C, SER34A, THR166C, TYR173C, TYR210C, TYR37A, VAL174C, VAL23A
• A-D: GLU27A, GLU27D, LEU29A, LEU29D, LYS26A, LYS26D, PRO28A, PRO28D
• B-C: ARG157B, ARG157C, GLU160B, HIS156B, HIS156C
• B-D: ALA103D, ALA21D, ARG157B, ARG36D, ASP169B, GLN24D, GLU149B, GLU160B, GLU172B, GLU20D, GLU237B, GLU241B, GLU27D, GLU33D, GLY154B, HIS156B, HIS32D, ILE171B, ILE231B, LEU168B, LEU235B, LEU238B, LEU29D, LEU40D, LYS13D, LYS176B, LYS177B, LYS17D, LYS234B, LYS26D, LYS30D, LYS97D, MET25D, MET35D, PHE104D, PHE170B, PRO28D, SER153B, SER167B, SER34D, THR166B, TYR173B, TYR210B, TYR37D, VAL174B, VAL23D
• C-D: ALA109D, ALA112D, ALA115D, ALA120D, ALA121C, ALA125D, ALA126D, ALA127D, ALA131D, ALA144D, ALA145C, ALA154D, ALA75C, ALA76C, ARG134C, ARG135D, ARG137C, ARG138D, ARG144C, ARG157C, ARG23C, ASN103C, ASP110C, ASP114D, ASP131C, ASP133C, ASP159D, ASP83D, ASP84D, ASP89D, CYS161D, CYS87D, GLN156D, GLU105C, GLU106D, GLU118C, GLU122D, GLU134D, GLU141C, GLU142D, GLU149C, GLU150D, GLU158C, GLU159C, GLU160C, GLU163D, GLU26C, GLU27D, GLU80C, GLY101C, GLY109C, GLY111C, GLY113D, GLY116C, GLY122C, GLY141D, GLY146C, GLY147C, GLY148D, GLY150C, GLY151D, GLY154C, GLY155D, HIS123D, HIS156C, HIS172D, HIS179D, HIS32D, HIS79C, HIS81C, HIS82D, ILE112C, ILE135C, ILE136D, ILE139C, ILE140C, ILE142C, ILE147D, ILE152C, ILE20C, ILE31D, ILE75D, LEU106C, LEU107C, LEU111D, LEU116D, LEU117D, LEU119C, LEU120C, LEU136C, LEU140D, LEU143D, LEU152D, LEU155C, LEU29D, LEU82C, LEU85D, LYS129D, LYS177C, LYS180D, LYS26D, LYS30D, MET151C, MET32C, MET35D, MET78D, MET81D, MET88D, PHE104D, PHE115C, PHE117C, PHE119D, PHE121D, PHE175D, PHE29C, PRO102C, PRO114C, PRO132C, PRO132D, PRO133D, PRO148C, PRO24C, PRO25C, PRO28D, PRO31C, PRO83C, PRO86D, PRO94C, SER107D, SER118D, SER143C, SER146D, SER149D, SER153C, SER162D, SER79D, THR108C, THR128D, THR27C, TYR100C, TYR173C, VAL104C, VAL108D, VAL110D, VAL113C, VAL124D, VAL137D, VAL138C, VAL139D, VAL145D, VAL153D, VAL157D, VAL158D, VAL160D, VAL23D, VAL28C, VAL72C, VAL78C