3NZR

crystal structure of 2-dehydro-3-deoxyphosphogluconate aldolase from vibrio fischeri es114

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 96
  • Norm. En. per Res.: -2.7518
• 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	-56.4825	24.9844	-221.191	-252.6891	96	8	9	8650	0	15	17
A-C	-3.1371	-13.5386	-56.6528	-73.3286	37	2	0	2410	0	8	11
A-D	-5.1305	2.2283	-29.222	-32.1241	33	0	0	1450	2	13	15
B-C	0.0	4.4597	-35.7615	-31.3018	40	0	0	1704	0	13	18
C-D	-69.5268	27.928	-222.57	-264.1688	96	8	10	8623	0	17	17

Interface residues

• A-B: ALA100A, ALA100B, ALA104A, ALA104B, ALA106A, ALA106B, ALA140A, ALA140B, ALA147A, ALA147B, ALA149A, ALA149B, ARG103A, ARG103B, ARG136A, ARG136B, ASN75A, ASN75B, ASP139A, ASP139B, ASP153A, ASP153B, GLN85A, GLN85B, GLU138A, GLU138B, GLU145A, GLU145B, GLY107A, GLY107B, GLY124A, GLY124B, GLY131A, GLY131B, GLY155A, GLY155B, GLY98A, GLY98B, ILE128A, ILE128B, ILE141A, ILE141B, ILE148A, ILE148B, LEU105A, LEU105B, LEU133A, LEU133B, LEU151A, LEU151B, LYS127A, LYS127B, LYS152A, LYS152B, LYS183A, LYS183B, PHE96A, PHE96B, PRO132A, PRO132B, PRO143A, PRO143B, PRO74A, PRO74B, SER102A, SER102B, SER129A, SER129B, SER134A, SER134B, SER135A, SER135B, SER137A, SER137B, SER77A, SER77B, SER81A, SER81B, THR101A, THR101B, THR130A, THR130B, THR146A, THR146B, THR97A, THR97B, VAL126A, VAL126B, VAL142A, VAL142B, VAL144A, VAL144B, VAL95A, VAL95B, VAL99A, VAL99B
• A-C: ALA71A, ALA71C, ARG136A, ARG136C, ASN75A, ASN75C, ASP73A, ASP73C, GLN76C, GLY131A, GLY131C, GLY70C, GLY72A, GLY72C, LEU116C, LEU133A, LEU133C, LEU69C, LYS127A, LYS127C, LYS42A, LYS42C, PHE162C, PRO132A, PRO132C, PRO74A, PRO74C, SER129A, SER134A, SER134C, SER135A, SER135C, SER137A, SER137C, THR130A, THR130C, VAL95C
• A-D: ALA181D, ALA208D, ALA225A, ALA71A, ARG11D, ARG230A, ASN10D, ASP182D, ASP184D, ASP223A, GLU168A, GLY165A, GLY192A, GLY209D, GLY227A, ILE213D, LEU206D, LEU245D, LYS152D, LYS178D, LYS183D, LYS212D, LYS224A, LYS42A, LYS9D, PHE162A, PRO163A, SER211D, SER219A, SER220A, THR226A, TYR8D, VAL210D
• B-C: ALA181B, ALA208B, ALA225C, ALA71C, ARG11B, ARG136C, ARG230C, ASN10B, ASP153B, ASP182B, ASP184B, ASP207B, ASP223C, GLU168C, GLY165C, GLY166C, GLY191C, GLY192C, GLY209B, GLY227C, ILE213B, ILE222C, LEU206B, LEU245B, LYS152B, LYS178B, LYS183B, LYS212B, LYS224C, LYS42C, LYS9B, PHE162C, PHE7B, PRO163C, SER211B, SER219C, SER220C, THR226C, TYR8B, VAL210B
• C-D: ALA100C, ALA100D, ALA104C, ALA104D, ALA106C, ALA106D, ALA140C, ALA140D, ALA147C, ALA147D, ALA149C, ALA149D, ARG103C, ARG103D, ARG136C, ARG136D, ASN75C, ASN75D, ASP139C, ASP139D, ASP153C, ASP153D, GLN85C, GLN85D, GLU138C, GLU138D, GLU145C, GLU145D, GLY107C, GLY107D, GLY124C, GLY124D, GLY131C, GLY131D, GLY155C, GLY155D, GLY98C, GLY98D, ILE128C, ILE128D, ILE141C, ILE141D, ILE148C, ILE148D, LEU105C, LEU105D, LEU133C, LEU133D, LEU151C, LEU151D, LYS127C, LYS127D, LYS152C, LYS152D, LYS183C, LYS183D, PHE96C, PHE96D, PRO132C, PRO132D, PRO143C, PRO143D, PRO74C, PRO74D, SER102C, SER102D, SER129C, SER129D, SER134C, SER134D, SER135C, SER135D, SER137C, SER137D, SER77C, SER77D, SER81C, SER81D, THR101C, THR101D, THR130C, THR130D, THR146C, THR146D, THR97C, THR97D, VAL126C, VAL126D, VAL142C, VAL142D, VAL144C, VAL144D, VAL95C, VAL95D, VAL99C, VAL99D