3GKB

crystal structure of a putative enoyl-coa hydratase from streptomyces avermitilis

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 130
  • Norm. En. per Res.: -3.8771
• 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	-57.8658	-105.8691	-337.735	-501.4699	131	15	18	15079	7	32	30
A-C	-56.4089	-108.3054	-339.306	-504.0202	130	15	17	15082	8	29	31
B-C	-52.4797	-83.09	-308.273	-443.8427	128	7	16	13935	8	29	30

Interface residues

• A-B: ALA124A, ALA125A, ALA126A, ALA129A, ALA143B, ALA166B, ALA173B, ALA178A, ALA181A, ALA181B, ALA182A, ALA190A, ALA204A, ALA208A, ALA209A, ALA217A, ALA218A, ALA224A, ALA237B, ALA239B, ALA240B, ALA246B, ALA247B, ALA276B, ARG101A, ARG158B, ARG160A, ARG163B, ARG165A, ARG165B, ARG189A, ARG202A, ARG205A, ARG220A, ARG273B, ARG277B, ARG52A, ASN164B, ASN188A, ASN206A, ASN235B, ASP127A, ASP174B, ASP177B, ASP212A, ASP225A, ASP226A, ASP236B, GLN103A, GLN105A, GLN140B, GLN155B, GLN249B, GLN94B, GLU142B, GLU168B, GLU179A, GLU216A, GLU229B, GLU234B, GLU269B, GLY146B, GLY150B, GLY152B, GLY153B, GLY159A, GLY159B, GLY162B, GLY185A, GLY213A, GLY230B, GLY233B, GLY270B, HIS102A, ILE100A, ILE108A, ILE141B, ILE147B, ILE148B, ILE187A, ILE207A, ILE215A, LEU144B, LEU157B, LEU167B, LEU171B, LEU175B, LEU191A, LEU210A, LEU222A, LEU227A, LEU231B, LEU232B, LEU244B, LEU250B, LYS219A, MET128A, MET145B, PHE130A, PHE176B, PRO104A, PRO149B, PRO211A, PRO223A, PRO245B, SER183A, SER183B, SER221A, THR107A, THR154B, THR172B, THR180A, THR180B, THR241B, TRP186A, TRP186B, TRP238B, TYR156A, TYR156B, TYR184A, TYR184B, TYR199A, VAL106A, VAL123A, VAL161A, VAL161B, VAL169B, VAL170B, VAL203A, VAL214A, VAL53A
• A-C: ALA124C, ALA125C, ALA126C, ALA129C, ALA143A, ALA166A, ALA173A, ALA178C, ALA181C, ALA182C, ALA190C, ALA204C, ALA208C, ALA209C, ALA217C, ALA218C, ALA224C, ALA237A, ALA239A, ALA240A, ALA246A, ALA247A, ALA276A, ARG101C, ARG158A, ARG160C, ARG163A, ARG165A, ARG165C, ARG189C, ARG202C, ARG205C, ARG220C, ARG273A, ARG277A, ARG52C, ASN164A, ASN188C, ASN206C, ASN235A, ASP127C, ASP174A, ASP177A, ASP212C, ASP225C, ASP226C, ASP236A, ASP267A, GLN103C, GLN105C, GLN140A, GLN155A, GLN249A, GLU142A, GLU168A, GLU179C, GLU216C, GLU229A, GLU234A, GLU269A, GLY146A, GLY150A, GLY152A, GLY153A, GLY159A, GLY159C, GLY162A, GLY185C, GLY213C, GLY230A, GLY233A, GLY270A, HIS102C, ILE100C, ILE108C, ILE141A, ILE147A, ILE148A, ILE187C, ILE207C, ILE215C, LEU144A, LEU157A, LEU167A, LEU171A, LEU175A, LEU191C, LEU210C, LEU222C, LEU227C, LEU231A, LEU232A, LEU244A, LEU250A, LYS219C, MET128C, MET145A, PHE130C, PHE176A, PHE242A, PRO149A, PRO211C, PRO223C, PRO245A, SER183A, SER183C, SER221C, THR107C, THR154A, THR172A, THR180A, THR180C, THR241A, TRP186A, TRP186C, TRP238A, TYR156A, TYR156C, TYR184A, TYR184C, TYR199C, VAL106C, VAL123C, VAL161A, VAL161C, VAL169A, VAL170A, VAL203C, VAL214C, VAL53C
• B-C: ALA124B, ALA125B, ALA126B, ALA129B, ALA143C, ALA166C, ALA173C, ALA178B, ALA181B, ALA181C, ALA182B, ALA190B, ALA204B, ALA208B, ALA209B, ALA217B, ALA218B, ALA224B, ALA237C, ALA239C, ALA240C, ALA246C, ALA247C, ALA276C, ARG101B, ARG158C, ARG160B, ARG163C, ARG165B, ARG165C, ARG189B, ARG202B, ARG205B, ARG220B, ARG273C, ARG277C, ARG52B, ASN164C, ASN188B, ASN206B, ASN235C, ASP127B, ASP174C, ASP177C, ASP212B, ASP225B, ASP226B, ASP236C, GLN103B, GLN105B, GLN140C, GLN155C, GLN94C, GLU142C, GLU168C, GLU179B, GLU216B, GLU229C, GLU234C, GLU269C, GLY146C, GLY150C, GLY152C, GLY153C, GLY159B, GLY159C, GLY162C, GLY185B, GLY213B, GLY230C, GLY233C, HIS102B, ILE100B, ILE108B, ILE141C, ILE147C, ILE148C, ILE187B, ILE207B, ILE215B, LEU144C, LEU157C, LEU167C, LEU171C, LEU175C, LEU191B, LEU210B, LEU222B, LEU227B, LEU231C, LEU232C, LEU244C, LEU250C, LYS219B, MET128B, MET145C, PHE130B, PHE176C, PHE242C, PRO149C, PRO211B, PRO223B, SER183B, SER183C, SER221B, THR107B, THR154C, THR172C, THR180B, THR180C, THR241C, TRP186B, TRP186C, TRP238C, TYR156B, TYR156C, TYR184B, TYR184C, TYR199B, VAL106B, VAL123B, VAL161B, VAL161C, VAL169C, VAL170C, VAL203B, VAL214B, VAL53B