3FSG

crystal structure of alpha/beta superfamily hydrolase from oenococcus oeni psu-1

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 106
  • Norm. En. per Res.: -4.0796
• 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	-8.3704	-23.3282	-68.2074	-99.906	52	4	4	3666	3	11	14
A-C	-90.2735	-33.3248	-295.841	-419.4393	108	15	11	11809	0	33	43
B-D	-87.8813	-34.6465	-309.91	-432.4378	106	10	10	12066	0	34	41

Interface residues

• A-B: ALA151A, ALA151B, ASN135A, ASN135B, ASN142A, ASN142B, ASN146A, ASN146B, ASP140A, ASP140B, ASP152A, ASP152B, GLN217B, GLU139A, GLU139B, GLU145A, GLU145B, GLU148A, GLU148B, HIS133A, HIS133B, ILE134A, ILE134B, ILE136B, ILE141A, ILE141B, ILE160A, ILE160B, LEU137A, LEU137B, LEU154A, LEU154B, LEU176B, LYS132A, LYS132B, LYS147A, LYS147B, PHE150A, PHE150B, PHE153A, PHE153B, PRO143A, PRO143B, SER155A, SER155B, TRP165A, TRP165B, TYR149A, TYR149B, TYR168B, VAL144A, VAL144B
• A-C: ALA253A, ALA253C, ARG214A, ARG214C, ARG241A, ARG241C, ARG251A, ARG251C, ASN203A, ASN203C, ASN215A, ASN215C, ASN229A, ASN229C, ASN231A, ASN231C, ASN233A, ASN233C, ASN240A, ASN240C, ASN266A, ASN266C, ASP249A, ASP249C, ASP259A, ASP263A, ASP263C, GLN222A, GLN222C, GLN224C, GLN250A, GLN250C, GLU138A, GLU138C, GLU232A, GLU232C, GLU235A, GLU235C, GLU252A, GLU252C, GLU264A, GLU264C, GLY213A, GLY213C, GLY234A, GLY234C, GLY255A, GLY255C, HIS230A, HIS230C, HIS257A, HIS257C, ILE134C, ILE136A, ILE136C, ILE159A, ILE159C, ILE210A, ILE210C, ILE228A, ILE228C, ILE236A, ILE236C, LEU129C, LEU137C, LEU225A, LEU225C, LEU227A, LEU227C, LEU238A, LEU238C, LEU239A, LEU239C, LEU260A, LEU260C, LEU262A, LEU262C, LEU265A, LEU265C, LYS132A, LYS132C, LYS209A, LYS209C, LYS226A, LYS226C, PHE115A, PHE115C, PHE206A, PHE206C, PHE208A, PHE208C, PHE256A, PHE256C, PHE261A, PHE261C, PRO207A, PRO207C, SER267A, THR242A, THR242C, TYR221A, TYR221C, VAL212A, VAL212C, VAL237A, VAL237C, VAL254A, VAL254C
• B-D: ALA253B, ALA253D, ARG214B, ARG214D, ARG241B, ARG241D, ARG251B, ARG251D, ASN203B, ASN203D, ASN215B, ASN215D, ASN229B, ASN229D, ASN231B, ASN231D, ASN233B, ASN233D, ASN240B, ASN240D, ASN266B, ASN266D, ASP249B, ASP249D, ASP259D, ASP263B, ASP263D, GLN222B, GLN222D, GLN224B, GLN224D, GLN250B, GLN250D, GLU138D, GLU223B, GLU223D, GLU232B, GLU232D, GLU235B, GLU235D, GLU252B, GLU252D, GLU264B, GLU264D, GLY213B, GLY213D, GLY234B, GLY234D, GLY255B, GLY255D, HIS230B, HIS230D, HIS257B, HIS257D, ILE134D, ILE136B, ILE136D, ILE159B, ILE159D, ILE210B, ILE210D, ILE228B, ILE228D, ILE236B, ILE236D, LEU129B, LEU129D, LEU225B, LEU225D, LEU227B, LEU227D, LEU238B, LEU238D, LEU239B, LEU239D, LEU260B, LEU260D, LEU262D, LEU265B, LEU265D, LYS132D, LYS209B, LYS209D, LYS226B, LYS226D, PHE115B, PHE206B, PHE206D, PHE208B, PHE208D, PHE256B, PHE256D, PHE261B, PHE261D, PRO207B, PRO207D, THR242B, THR242D, TYR221B, TYR221D, VAL212B, VAL212D, VAL237B, VAL237D, VAL254B, VAL254D