3Q1O

crystal structure of geranyltransferase from helicobacter pylori complexed with magnesium and isoprenyl diphosphate

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 196
  • Norm. En. per Res.: -3.8881
• 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	0.0	-2.8745	-56.7372	-59.6117	34	0	3	2437	0	4	3
A-C	0.0	0.0	-61.8197	-61.8197	37	0	3	2677	0	3	3
B-C	-14.5479	0.0	-99.0067	-113.5546	56	2	3	4444	0	13	11
C-D	-27.2554	-57.5893	-677.22	-762.0647	196	21	29	27779	8	49	57

Interface residues

• A-B: ALA279B, ALA283B, ASN5A, ASP206B, ASP276B, ASP278B, CB6.94880-11.49794, GLU207B, GLU208B, GLU289A, HIS-1A, HIS-1A5, ILE204B, LEU1A, LEU209B, LEU213B, LEU277B, LEU280B, LEU287B, LEU61B, LEU6A, LYS205B, LYS211B, LYS281B, PHE210B, PRO282B, PRO285B, PRO4A, SER0A, SER2A, SER3A, SER7A, TRP212B, TYR284B
• A-C: ALA279A, ALA283A, ASN292C, ASN5C, ASP206A, ASP276A, GLN288C, GLU207A, GLU208A, GLU289C, ILE204A, LEU199A, LEU1C, LEU209A, LEU213A, LEU280A, LEU286A, LEU286C, LEU287A, LEU61A, LEU6C, LYS205A, LYS211A, LYS281A, LYS281C, PHE210A, PRO282A, PRO282C, PRO285A, PRO285C, PRO4C, SER0C, SER2C, SER3C, SER7C, TRP212A, TYR284A
• B-C: ALA215C, ALA279C, ALA283C, ARG15B, ASN11B, ASN275C, ASN5B, ASP206C, ASP276C, ASP278C, GLN214C, GLN288B, GLN64B, GLU12B, GLU207C, GLU208C, GLU272C, GLU289B, GLY217C, HIS-1B, ILE204C, LEU1B, LEU209C, LEU213C, LEU218C, LEU277C, LEU280C, LEU286B, LEU287B, LEU287C, LEU6B, LYS205C, LYS211C, LYS219C, LYS281B, LYS281C, LYS65B, MET220C, PHE210C, PHE216C, PHE8B, PRO282B, PRO282C, PRO285B, PRO285C, PRO4B, SER0B, SER2B, SER3B, SER7B, TRP212C, TYR10B, TYR284B, TYR284C, TYR9B, VAL273C
• C-D: ALA118C, ALA118D, ALA124C, ALA124D, ALA136C, ALA136D, ALA152C, ALA152D, ALA164C, ALA164D, ALA37C, ALA37D, ASN126C, ASN126D, ASN135C, ASN135D, ASN153C, ASN153D, ASN175C, ASN175D, ASN251C, ASN251D, ASP114C, ASP114D, ASP123C, ASP123D, ASP166C, ASP166D, ASP92C, ASP92D, ASP98C, ASP98D, CYS167C, CYS167D, CYS96C, CYS96D, GLN163C, GLN163D, GLN178C, GLN178D, GLU115C, GLU115D, GLU131C, GLU131D, GLU139C, GLU139D, GLU145C, GLU145D, GLU170C, GLU170D, GLU177C, GLU177D, GLU28C, GLU28D, GLU35C, GLU35D, GLY122C, GLY122D, GLY154C, GLY154D, GLY155C, GLY155D, GLY158C, GLY158D, GLY162C, GLY162D, HIS141C, HIS141D, HIS183C, HIS183D, HIS185C, HIS185D, HIS23C, HIS23D, HIS26C, HIS26D, HIS31C, HIS31D, HIS91C, HIS91D, ILE121C, ILE121D, ILE142C, ILE142D, ILE143C, ILE143D, ILE147C, ILE147D, ILE149C, ILE149D, ILE156C, ILE156D, ILE160C, ILE160D, ILE90C, ILE90D, LEU120C, LEU120D, LEU125C, LEU125D, LEU132C, LEU132D, LEU133C, LEU133D, LEU137C, LEU137D, LEU138C, LEU138D, LEU146C, LEU146D, LEU150C, LEU150D, LEU161C, LEU161D, LEU165C, LEU165D, LEU174C, LEU174D, LEU179C, LEU179D, LEU182C, LEU182D, LEU190C, LEU25C, LEU25D, LEU27C, LEU27D, LEU34C, LEU34D, LEU84C, LEU84D, LEU94C, LEU94D, LYS148C, LYS148D, LYS157C, LYS157D, LYS250D, LYS76C, LYS76D, MET159C, MET159D, MET97C, MET97D, PHE130C, PHE130D, PHE169C, PHE169D, PHE181C, PHE181D, PHE30C, PHE30D, PHE38C, PHE38D, PHE39C, PHE39D, PRO32C, PRO32D, PRO95C, PRO95D, SER129C, SER129D, SER134C, SER134D, SER140C, SER140D, SER151C, SER151D, SER29C, SER29D, SER88C, SER88D, THR116C, THR116D, THR117C, THR117D, THR127C, THR127D, THR172C, THR172D, THR180C, THR180D, TYR113C, TYR113D, TYR128C, TYR128D, TYR168C, TYR168D, TYR33C, TYR33D, TYR87C, TYR87D, VAL119C, VAL119D, VAL144C, VAL144D