3H0U

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

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 138
  • Norm. En. per Res.: -4.3018
• 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	-78.7764	-84.6744	-430.195	-593.6458	138	17	18	17746	6	29	34
A-C	-57.9507	-69.2111	-432.021	-559.1829	136	15	18	17466	4	29	35
B-C	-61.5166	-59.9454	-412.794	-534.256	131	16	18	17009	4	29	30

Interface residues

• A-B: ALA108A, ALA128A, ALA150B, ALA156B, ALA169B, ALA172B, ALA181A, ALA184A, ALA193A, ALA207A, ALA208A, ALA217A, ALA220A, ALA221A, ALA224A, ALA227A, ALA232B, ALA238B, ALA277B, ALA283B, ARG101A, ARG132A, ARG136A, ARG162A, ARG162B, ARG166B, ARG168A, ARG168B, ARG186A, ARG186B, ARG192A, ARG209A, ARG215A, ARG255B, ARG57A, ASN191A, ASN226A, ASP130A, ASP178B, ASP180B, ASP182A, ASP216A, ASP239B, ASP273B, ASP276B, CYS129A, GLN105A, GLN143B, GLN158B, GLN245B, GLN254B, GLU145B, GLU171B, GLU185A, GLU235B, GLY142B, GLY147B, GLY149B, GLY155B, GLY165B, GLY167B, GLY188A, GLY205A, GLY212A, GLY249B, GLY275B, GLY279B, HIS159A, HIS159B, HIS280B, ILE111A, ILE148B, ILE157B, ILE206A, ILE219A, ILE225A, ILE228A, LEU103A, LEU106A, LEU126A, LEU127A, LEU160B, LEU163A, LEU163B, LEU164A, LEU164B, LEU170B, LEU174B, LEU183A, LEU183B, LEU218A, LEU230A, LEU242B, LEU246B, LEU274B, LEU278B, LEU281B, LYS222A, LYS251B, LYS282B, MET131A, MET210A, PHE100A, PHE125A, PHE133A, PHE179B, PHE202A, PHE213A, PHE243B, PRO107A, PRO144B, PRO151B, PRO152B, PRO195A, PRO214A, PRO231A, PRO231B, SER104A, SER176B, SER177B, SER211A, SER223A, SER229A, THR110A, THR161B, THR175B, THR21A, TRP189A, TYR187A, TYR187B, VAL109A, VAL146B, VAL173B, VAL190A, VAL194A, VAL252B, VAL284B, VAL58A
• A-C: ALA108C, ALA128C, ALA150A, ALA156A, ALA169A, ALA172A, ALA181C, ALA184C, ALA193C, ALA207C, ALA208C, ALA217C, ALA220C, ALA221C, ALA224C, ALA227C, ALA238A, ALA277A, ALA283A, ARG101C, ARG132C, ARG136C, ARG162A, ARG162C, ARG166A, ARG168A, ARG168C, ARG186A, ARG186C, ARG192C, ARG209C, ARG215C, ARG255A, ARG57C, ASN191C, ASN226C, ASP130C, ASP178A, ASP180A, ASP182C, ASP216C, ASP239A, ASP273A, ASP276A, CYS129C, GLN105C, GLN143A, GLN158A, GLN245A, GLN254A, GLU145A, GLU171A, GLU185C, GLU235A, GLU250A, GLY142A, GLY147A, GLY149A, GLY155A, GLY165A, GLY167A, GLY188C, GLY205C, GLY212C, GLY249A, GLY275A, GLY279A, HIS159A, HIS159C, HIS280A, ILE111C, ILE148A, ILE157A, ILE206C, ILE219C, ILE225C, ILE228C, LEU103C, LEU106C, LEU126C, LEU127C, LEU160A, LEU163A, LEU163C, LEU164A, LEU164C, LEU170A, LEU174A, LEU183A, LEU183C, LEU218C, LEU230C, LEU242A, LEU246A, LEU274A, LEU278A, LEU281A, LYS222C, LYS251A, LYS282A, MET131C, MET210C, PHE100C, PHE125C, PHE133C, PHE179A, PHE202C, PHE213C, PHE243A, PRO107C, PRO144A, PRO151A, PRO152A, PRO214C, PRO231A, PRO231C, SER104C, SER176A, SER177A, SER211C, SER223C, SER229C, THR110C, THR161A, THR175A, THR21C, TRP189C, TYR187A, TYR187C, VAL109C, VAL146A, VAL173A, VAL190C, VAL194C, VAL252A, VAL58C
• B-C: ALA108B, ALA128B, ALA150C, ALA156C, ALA169C, ALA172C, ALA184B, ALA193B, ALA207B, ALA208B, ALA217B, ALA220B, ALA221B, ALA224B, ALA227B, ALA238C, ALA277C, ARG101B, ARG132B, ARG136B, ARG162B, ARG162C, ARG166C, ARG168B, ARG168C, ARG186B, ARG186C, ARG192B, ARG209B, ARG215B, ARG255C, ARG57B, ASN191B, ASN226B, ASP130B, ASP178C, ASP180C, ASP182B, ASP216B, ASP239C, ASP273C, ASP276C, CYS129B, GLN105B, GLN143C, GLN158C, GLN245C, GLN254C, GLU145C, GLU171C, GLU185B, GLU235C, GLU250C, GLY142C, GLY147C, GLY149C, GLY165C, GLY167C, GLY188B, GLY205B, GLY212B, GLY249C, GLY275C, GLY279C, HIS159B, HIS159C, HIS280C, ILE111B, ILE148C, ILE157C, ILE206B, ILE219B, ILE225B, ILE228B, LEU103B, LEU106B, LEU126B, LEU127B, LEU160C, LEU163B, LEU164B, LEU164C, LEU170C, LEU174C, LEU183B, LEU183C, LEU218B, LEU230B, LEU242C, LEU246C, LEU274C, LEU278C, LEU281C, LYS222B, LYS251C, MET131B, MET210B, PHE100B, PHE125B, PHE133B, PHE179C, PHE202B, PHE213B, PHE243C, PRO107B, PRO144C, PRO151C, PRO152C, PRO195B, PRO214B, PRO231B, PRO231C, SER104B, SER176C, SER177C, SER211B, SER223B, SER229B, THR110B, THR161C, THR175C, TRP189B, TYR187B, TYR187C, VAL109B, VAL146C, VAL173C, VAL190B, VAL194B, VAL252C, VAL58B