3LKE

crystal structure of enoyl-coa hydratase from bacillus halodurans

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 103
  • Norm. En. per Res.: -3.7723
• 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	-42.6215	-62.2918	-254.43	-359.3433	101	17	6	11555	3	33	24
A-C	-30.0227	-58.4275	-264.228	-352.6782	100	11	6	11484	3	36	23
B-C	-50.4864	-56.6299	-281.434	-388.5504	103	13	6	11687	3	34	24

Interface residues

• A-B: ALA122B, ALA149A, ALA203B, ALA211B, ALA213B, ALA214B, ALA223B, ALA240A, ARG125B, ARG126B, ARG155A, ARG155B, ARG196B, ARG250A, ASN164A, ASN199B, ASP124B, ASP146A, CYS123B, GLN161A, GLN184B, GLN229A, GLN230A, GLN233A, GLN244A, GLU160A, GLU168A, GLU185B, GLU206B, GLU226A, GLU232A, GLU234A, GLU236A, GLU237A, GLU246A, GLY142A, GLY148A, GLY158A, GLY169A, GLY181B, GLY207B, GLY221B, HIS139A, HIS50B, ILE127B, ILE143A, ILE156B, ILE157A, ILE183B, ILE212B, ILE247A, LEU121B, LEU153A, LEU165A, LEU166A, LEU167A, LEU180B, LEU182B, LEU201B, LEU218B, LEU219B, LEU231A, LEU238A, LEU241A, LYS102B, LYS140A, LYS202B, LYS216B, LYS217B, LYS220B, LYS222B, LYS243A, LYS248A, MET141A, MET163A, PHE138A, PHE152A, PHE152B, PHE242A, PHE98B, PRO145A, PRO154A, PRO210B, SER100B, SER144A, SER150A, SER205B, SER51B, THR104B, THR162A, THR215B, THR235A, THR245A, TYR151A, TYR159A, TYR200B, TYR208B, VAL103B, VAL105B, VAL204B, VAL209B
• A-C: ALA122A, ALA149C, ALA203A, ALA211A, ALA213A, ALA214A, ALA223A, ALA240C, ARG125A, ARG126A, ARG155A, ARG155C, ARG196A, ARG250C, ASN164C, ASP124A, ASP146C, CYS123A, GLN161C, GLN184A, GLN229C, GLN230C, GLN233C, GLN244C, GLU160C, GLU168C, GLU185A, GLU206A, GLU226C, GLU232C, GLU234C, GLU236C, GLU237C, GLU246C, GLY142C, GLY148C, GLY158C, GLY169C, GLY181A, GLY207A, GLY221A, HIS139C, HIS50A, ILE127A, ILE143C, ILE156A, ILE157C, ILE183A, ILE212A, ILE247C, LEU121A, LEU153C, LEU165C, LEU166C, LEU167C, LEU180A, LEU182A, LEU201A, LEU218A, LEU219A, LEU231C, LEU238C, LEU241C, LYS102A, LYS140C, LYS170C, LYS202A, LYS216A, LYS217A, LYS220A, LYS222A, MET141C, MET163C, PHE138C, PHE152A, PHE152C, PHE242C, PHE98A, PRO101A, PRO145C, PRO154C, PRO210A, SER100A, SER144C, SER150C, SER205A, SER51A, THR104A, THR162C, THR215A, THR235C, THR245C, TYR151C, TYR159C, TYR200A, TYR208A, VAL103A, VAL105A, VAL204A, VAL209A
• B-C: ALA122C, ALA149B, ALA203C, ALA211C, ALA213C, ALA214C, ALA223C, ALA240B, ARG125C, ARG126C, ARG155B, ARG155C, ARG196C, ARG250B, ASN164B, ASN199C, ASP124C, ASP146B, CYS123C, GLN161B, GLN184C, GLN229B, GLN230B, GLN233B, GLN244B, GLU160B, GLU168B, GLU185C, GLU206C, GLU226B, GLU226C, GLU232B, GLU234B, GLU236B, GLU237B, GLU246B, GLY142B, GLY148B, GLY158B, GLY169B, GLY181C, GLY207C, GLY221C, HIS139B, HIS50C, ILE127C, ILE143B, ILE156C, ILE157B, ILE183C, ILE212C, ILE247B, LEU121C, LEU153B, LEU165B, LEU166B, LEU167B, LEU178C, LEU182C, LEU201C, LEU218C, LEU219C, LEU231B, LEU238B, LEU241B, LYS102C, LYS140B, LYS170B, LYS202C, LYS216C, LYS217C, LYS220C, LYS222C, MET141B, MET163B, PHE138B, PHE152B, PHE152C, PHE242B, PHE98C, PRO101C, PRO145B, PRO154B, PRO210C, SER100C, SER144B, SER150B, SER205C, SER51C, THR104C, THR162B, THR215C, THR235B, THR245B, THR99C, TYR151B, TYR159B, TYR200C, TYR208C, VAL103C, VAL105C, VAL204C, VAL209C