3PDE

crystal structure of geranylgeranyl pyrophosphate synthase from lactobacillus brevis atcc 367 complexed with isoprenyl diphosphate and magnesium

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 171
  • Norm. En. per Res.: -4.1099
• Hub Node: A(2)

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	-92.4009	-25.618	-584.77	-702.7889	171	14	24	22439	6	17	22
A-D	-34.415	22.3714	-143.308	-155.3516	67	5	7	5394	3	13	15
B-C	-35.5865	0.0	-163.931	-199.5175	74	4	11	7553	0	10	11

Interface residues

• A-B: ALA112A, ALA112B, ALA115A, ALA115B, ALA118A, ALA118B, ALA126A, ALA126B, ALA132A, ALA132B, ALA137A, ALA137B, ALA141A, ALA141B, ALA142A, ALA142B, ALA146A, ALA146B, ALA148A, ALA148B, ALA150A, ALA150B, ALA151A, ALA151B, ALA158A, ALA158B, ALA161A, ALA161B, ALA25A, ALA28A, ALA28B, ALA33A, ALA33B, ALA36A, ALA36B, ALA38A, ALA38B, ALA93A, ALA93B, ARG73A, ARG73B, ASP120A, ASP120B, ASP163A, ASP163B, ASP29A, ASP29B, ASP32A, ASP32B, ASP89A, ASP89B, ASP95A, GLN128A, GLN128B, GLN140A, GLN140B, GLN145A, GLN145B, GLN160A, GLN160B, GLN165A, GLN165B, GLN31A, GLN31B, GLN34A, GLN34B, GLU182A, GLU182B, GLY111A, GLY111B, GLY113A, GLY113B, GLY119A, GLY119B, GLY121A, GLY121B, GLY152A, GLY152B, GLY155A, GLY155B, GLY159A, GLY159B, HIS107A, HIS107B, HIS88A, HIS88B, ILE164A, ILE164B, ILE26A, ILE26B, ILE87A, ILE87B, LEU117A, LEU117B, LEU122A, LEU122B, LEU123A, LEU123B, LEU125A, LEU125B, LEU130A, LEU130B, LEU135A, LEU135B, LEU143A, LEU143B, LEU147A, LEU147B, LEU187A, LEU187B, LEU27A, LEU27B, LEU35A, LEU35B, LEU80A, LEU80B, LEU81A, LEU81B, LEU91A, LEU91B, LYS162A, LYS162B, LYS181A, MET114A, MET114B, MET139A, MET139B, MET156A, MET156B, MET39A, MET39B, MET94A, MET94B, PHE110A, PHE110B, PHE127A, PHE127B, PRO136A, PRO136B, PRO153A, PRO153B, PRO92A, PRO92B, SER154A, SER154B, SER30A, SER30B, SER85A, SER85B, THR116A, THR116B, THR124A, THR124B, THR131A, THR131B, THR133A, THR133B, THR138A, THR138B, THR149A, THR149B, TRP129A, TRP129B, TYR84A, TYR84B, VAL144A, VAL144B, VAL157A, VAL157B, VAL178A, VAL178B
• A-D: ALA17A, ALA20A, ALA234D, ALA289A, ALA5A, ALA5D, ALA9A, ALA9D, ARG298A, ARG298D, ARG6A, ARG6D, ASN19A, ASN300D, ASN4A, ASN4D, ASP12A, ASP12D, ASP228D, ASP285A, ASP286A, ASP295A, ASP295D, GLN13A, GLU11A, GLU11D, GLU297D, GLY47A, ILE226D, ILE3A, ILE3D, ILE8A, ILE8D, LEU227A, LEU227D, LEU22A, LEU257D, LEU2A, LEU2D, LEU53A, LEU7A, LEU7D, LYS48A, LYS48D, PHE10A, PHE294D, PRO16A, PRO21A, PRO233D, SER1A, SER1D, SER231A, SER231D, SER232A, SER232D, SER292A, SER292D, THR282A, TRP14A, TYR223A, TYR223D, TYR293A, TYR293D, VAL15A, VAL229D, VAL230D, VAL299D
• B-C: ALA219B, ALA219C, ALA247B, ALA260B, ALA260C, ALA263B, ALA263C, ARG298B, ARG298C, ASN261B, ASN261C, ASN4B, ASN4C, ASP228B, ASP228C, ASP266B, ASP266C, ASP295B, ASP295C, GLN262B, GLN262C, GLN272B, GLN272C, GLU297B, GLU297C, GLY253B, GLY253C, GLY256B, GLY256C, GLY259B, GLY259C, HIS269B, HIS269C, ILE226B, ILE226C, ILE258B, ILE258C, ILE265B, ILE265C, ILE268B, ILE268C, ILE3B, LEU227B, LEU227C, LEU255B, LEU255C, LEU257B, LEU257C, LEU264B, LEU264C, LYS254B, LYS254C, PHE291B, PHE291C, PHE294B, PHE294C, PRO252B, PRO252C, SER1B, SER1C, SER231B, SER231C, SER292B, SER292C, THR296B, THR296C, TYR223B, TYR223C, TYR293B, TYR293C, VAL229B, VAL229C, VAL230B, VAL230C