3LAO

crystal structure of enoyl-coa hydratase from pseudomonas aeruginosa pa01

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -2.948
• 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	-28.9042	-13.6047	-302.411	-344.9198	117	14	16	12886	2	32	34
A-C	-8.5687	38.4765	-239.119	-209.2112	96	22	13	10739	0	24	27
B-C	-35.5582	-18.8364	-324.459	-378.8536	129	25	20	15058	3	37	40

Interface residues

• A-B: ALA124B, ALA127B, ALA157A, ALA157B, ALA158A, ALA158B, ALA163A, ALA178B, ALA201B, ALA205B, ALA207B, ALA208B, ALA211B, ALA214A, ALA214B, ALA215A, ALA215B, ALA219A, ALA219B, ALA229B, ALA230B, ARG100A, ARG100B, ARG101B, ARG142A, ARG153A, ARG153B, ARG156A, ARG156B, ARG165A, ARG180A, ARG180B, ARG182A, ARG182B, ARG196B, ARG203B, ARG206B, ARG213A, ARG213B, ARG223A, ARG223B, ARG233B, ARG55B, ASN123B, ASN235B, ASP125B, ASP162A, ASP171A, ASP224A, ASP224B, ASP227B, CYS56B, GLN217A, GLN217B, GLN221A, GLN221B, GLU139A, GLU172A, GLU186B, GLU199B, GLU202B, GLU225B, GLU236B, GLY143A, GLY149A, GLY159A, GLY159B, GLY170A, GLY222A, GLY222B, GLY226B, HIS137A, ILE126B, ILE144A, ILE167A, ILE204B, LEU105B, LEU122B, LEU138A, LEU141A, LEU168A, LEU179B, LEU183A, LEU183B, LEU184B, LEU210B, LEU216A, LEU216B, LEU231B, LEU238B, LYS103B, PHE154A, PHE220A, PHE220B, PRO104B, PRO145A, PRO155A, PRO209B, SER150A, SER218A, SER218B, SER232B, SER237B, THR151A, THR161A, THR169A, THR185B, TRP160A, TYR166A, TYR200B, VAL106B, VAL107B, VAL128B, VAL140A, VAL152A, VAL212B, VAL234B
• A-C: ALA124A, ALA127A, ALA157A, ALA157C, ALA158A, ALA158C, ALA163C, ALA178A, ALA201A, ALA205A, ALA207A, ALA208A, ALA211A, ALA214A, ALA215A, ALA219A, ARG100A, ARG101A, ARG142C, ARG153A, ARG153C, ARG156A, ARG156C, ARG165C, ARG180A, ARG180C, ARG182A, ARG182C, ARG196A, ARG203A, ARG206A, ARG213A, ARG223A, ARG55A, ASN123A, ASP125A, ASP162C, ASP171C, ASP224A, CYS56A, GLN217A, GLN221A, GLU139C, GLU172C, GLU177C, GLU186A, GLU199A, GLU202A, GLY143C, GLY148C, GLY149C, GLY159A, GLY159C, GLY170C, GLY222A, HIS137C, ILE126A, ILE144C, ILE167C, ILE204A, LEU105A, LEU122A, LEU138C, LEU141C, LEU147C, LEU168C, LEU179A, LEU179C, LEU183A, LEU183C, LEU184A, LEU210A, LEU216A, LYS103A, PHE154C, PHE220A, PRO104A, PRO145C, PRO146C, PRO155C, PRO209A, SER150C, SER218A, THR151C, THR161C, THR169C, THR185A, TRP160C, TYR166C, TYR200A, VAL106A, VAL107A, VAL128A, VAL140C, VAL152C, VAL212A
• B-C: ALA124C, ALA127C, ALA157B, ALA157C, ALA158B, ALA158C, ALA163B, ALA178C, ALA201C, ALA205C, ALA207C, ALA208C, ALA211C, ALA214C, ALA215C, ALA219C, ALA229B, ALA230B, ARG100C, ARG101C, ARG142B, ARG153B, ARG153C, ARG156B, ARG156C, ARG165B, ARG180B, ARG180C, ARG182B, ARG182C, ARG196C, ARG203C, ARG206C, ARG213C, ARG223B, ARG223C, ARG233B, ARG55C, ASN123C, ASN235B, ASP125C, ASP162B, ASP171B, ASP224B, ASP227B, ASP228B, ASP92C, CYS56C, GLN217C, GLN221C, GLN98B, GLN98C, GLU119B, GLU119C, GLU139B, GLU172B, GLU186C, GLU199C, GLU202C, GLU225B, GLU236B, GLY143B, GLY148C, GLY149B, GLY149C, GLY159B, GLY159C, GLY170B, GLY222B, GLY222C, GLY226B, GLY95B, GLY95C, HIS137B, ILE126C, ILE144B, ILE144C, ILE167B, ILE204C, LEU105C, LEU122C, LEU138B, LEU141B, LEU147C, LEU168B, LEU179C, LEU183B, LEU183C, LEU184C, LEU210C, LEU216C, LEU231B, LEU238B, LYS103C, PHE154B, PHE154C, PHE220C, PRO104C, PRO145B, PRO145C, PRO146C, PRO155B, PRO209C, SER150B, SER150C, SER218C, SER232B, SER237B, THR151B, THR151C, THR161B, THR169B, THR185C, TRP160B, TRP94C, TYR166B, TYR200C, VAL106C, VAL107C, VAL128C, VAL140B, VAL152B, VAL152C, VAL212C, VAL234B, VAL96B, VAL96C, VAL97B, VAL97C