3GBA

x-ray structure of iglur5 ligand-binding core (s1s2) in complex with dysiherbaine at 1.35a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 67
  • Norm. En. per Res.: -2.0921
• 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	8.3682	-17.8781	-9.5099	15	0	0	1069	0	4	7
A-C	-12.563	-27.2421	-94.6199	-134.425	67	1	0	3928	0	21	20
B-C	-10.6124	-10.0799	-87.1593	-107.8516	66	2	0	3634	0	18	12
B-D	-13.2199	-33.2672	-93.6813	-140.1685	67	1	0	3931	2	21	15
C-D	0.0	8.5344	-8.1923	0.3422	14	0	0	712	0	6	5

Interface residues

• A-B: ARG227B, ASP228B, ASP23A, GLN236B, GLN238B, GLU239B, ILE232B, LEU235B, LEU26A, LYS103B, LYS24A, PRO25A, SER22A, THR231B, TYR27A
• A-C: ALA123C, ALA127C, ARG115A, ARG200A, ARG252A, ASN201A, ASN203A, ASN254A, ASP121C, ASP124C, ASP125C, ASP184A, ASP212C, ASP23A, CYS202A, CYS256A, GLN199A, GLN206C, GLN238C, GLU14A, GLU195C, GLU239C, GLY109C, GLY117A, GLY208C, GLY209C, GLY241C, GLY253A, GLY255A, HIS244C, ILE110C, ILE120C, ILE151C, ILE207C, ILE211C, LEU108C, LEU181A, LEU204A, LEU210C, LYS116A, LYS131A, LYS214C, LYS21A, MET157C, PHE145C, PHE146C, PRO104C, PRO119A, PRO119C, PRO257A, SER111C, SER122C, SER149C, SER152C, SER191C, SER213C, SER22A, THR107C, THR118A, THR118C, THR153C, THR182A, THR183A, THR198A, TYR154C, TYR196A, VAL197A
• B-C: ALA123B, ALA127B, ARG115C, ARG200C, ARG252C, ASN201C, ASN203C, ASN254C, ASP121B, ASP124B, ASP125B, ASP212B, ASP23C, CYS202C, CYS256C, GLN199C, GLN206B, GLN238B, GLU14C, GLU195B, GLU239B, GLY109B, GLY117C, GLY208B, GLY209B, GLY241B, GLY253C, GLY255C, HIS244B, ILE110B, ILE112B, ILE120B, ILE151B, ILE211B, LEU108B, LEU181C, LEU204C, LEU210B, LYS116C, LYS128B, LYS131C, LYS150B, LYS214B, LYS21C, MET157B, PHE145B, PHE146B, PRO104B, PRO119B, PRO257C, SER111B, SER122B, SER149B, SER152B, SER191B, SER213B, SER22C, THR107B, THR118B, THR118C, THR153B, THR182C, THR198C, THR205C, TYR154B, VAL197C
• B-D: ALA123D, ALA127D, ARG115B, ARG200B, ARG252B, ASN201B, ASN203B, ASN254B, ASP121D, ASP124D, ASP125D, ASP184B, ASP212D, ASP23B, CYS202B, CYS256B, GLN199B, GLN206D, GLN238D, GLU14B, GLU195D, GLU239D, GLY109D, GLY117B, GLY208D, GLY209D, GLY241D, GLY253B, GLY255B, HIS244D, ILE110D, ILE120D, ILE151D, ILE211D, LEU108D, LEU181B, LEU204B, LEU210D, LYS116B, LYS131B, LYS214D, LYS21B, MET157D, PHE145D, PHE146D, PRO104D, PRO119B, PRO119D, PRO257B, SER111D, SER122D, SER149D, SER152D, SER191D, SER213D, SER22B, THR107D, THR118B, THR118D, THR153D, THR182B, THR183B, THR198B, THR205B, TYR154D, TYR196B, VAL197B
• C-D: ARG227D, ASP228D, ASP23C, GLN236D, GLU239D, ILE232D, LEU235D, LYS103D, LYS229D, LYS24C, PRO25C, SER22C, THR231D, TYR27C