2Q0T

crystal structure of a putative gamma-carboxymuconolactone decarboxylase subunit (bxe_b0980) from burkholderia xenovorans lb400 at 1.70 a resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 184
  • Norm. En. per Res.: -3.9875
• 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	-88.1527	-71.9173	-585.099	-745.169	197	16	42	26060	11	48	49
A-C	-46.7232	-71.7014	-535.099	-653.5236	184	12	41	24023	8	50	49
B-C	-37.6015	-125.779	-570.323	-733.7035	184	12	41	24875	13	48	49

Interface residues

• A-B: ALA143B, ALA169B, ALA194A, ALA197A, ALA199A, ALA214A, ALA219A, ALA221A, ALA239A, ALA243A, ALA248A, ALA249A, ALA255A, ALA256A, ALA41A, ALA46A, ALA66B, ALA67A, ALA69B, ALA71B, ALA76A, ALA76B, ALA80B, ALA86B, ALA91B, ARG128B, ARG137B, ARG138B, ARG179B, ARG212A, ARG216A, ARG252A, ARG33A, ARG37A, ARG51A, ARG52A, ARG81B, ARG85B, ARG93B, ASN112B, ASN148B, ASN213A, ASP163B, ASP165B, ASP196A, ASP35A, ASP40A, ASP68A, ASP68B, CYS193A, CYS70B, GLN3A, GLN73A, GLN73B, GLN7A, GLU101B, GLU120B, GLU123B, GLU124B, GLU125B, GLU144B, GLU168B, GLU172B, GLU222A, GLU223A, GLU226A, GLU229A, GLU240A, GLU247A, GLU84B, GLU94B, GLU95B, GLU98B, GLY0A, GLY107B, GLY114B, GLY126B, GLY181B, GLY206A, GLY235A, GLY238A, GLY242A, GLY254A, GLY47A, GLY78B, HIS109B, HIS201A, HIS201B, HIS210A, HIS237A, HIS54A, HIS82B, ILE106B, ILE108B, ILE211A, ILE230A, ILE236A, ILE83B, ILE97B, LEU100B, LEU102B, LEU118B, LEU119B, LEU122B, LEU127B, LEU159B, LEU162B, LEU166B, LEU202A, LEU202B, LEU207A, LEU209A, LEU215A, LEU224A, LEU227A, LEU228A, LEU241A, LEU245A, LEU246A, LEU250A, LEU31A, LEU34A, LEU43A, LEU65B, LEU74A, LEU74B, LEU87B, LEU96B, LYS208A, LYS23B, LYS251A, LYS44A, PHE167B, PHE173B, PHE195A, PHE195B, PHE38A, PHE45A, PHE62B, PRO116B, PRO164B, PRO177B, PRO205A, PRO205B, PRO244A, PRO36A, PRO49A, PRO77A, PRO77B, PRO8A, SER104B, SER111B, SER174B, SER175B, SER198A, SER232A, SER253A, SER30A, SER88B, THR105B, THR110B, THR147B, THR180B, THR200A, THR200B, THR220A, THR234A, THR2A, THR4A, THR5A, THR72A, THR72B, THR92B, TRP156B, TRP178B, TRP28A, TYR170B, TYR203A, TYR203B, TYR42A, TYR75A, TYR75B, VAL103B, VAL113B, VAL115B, VAL117B, VAL121B, VAL171B, VAL176B, VAL204A, VAL231A, VAL233A, VAL32A, VAL39A, VAL48A, VAL79B, VAL99B
• A-C: ALA169A, ALA194C, ALA197C, ALA199C, ALA214C, ALA219C, ALA221C, ALA239C, ALA243C, ALA248C, ALA249C, ALA41C, ALA46C, ALA66A, ALA67C, ALA69A, ALA71A, ALA76A, ALA76C, ALA80A, ALA86A, ALA91A, ARG128A, ARG137A, ARG138A, ARG179A, ARG212C, ARG216C, ARG252C, ARG33C, ARG37C, ARG51C, ARG52C, ARG81A, ARG85A, ARG93A, ASN112A, ASN213C, ASP163A, ASP165A, ASP196C, ASP35C, ASP40C, ASP68A, CYS193C, CYS70A, GLN73A, GLN73C, GLN7C, GLU101A, GLU120A, GLU123A, GLU124A, GLU125A, GLU161A, GLU168A, GLU172A, GLU222C, GLU223C, GLU226C, GLU229C, GLU240C, GLU247C, GLU84A, GLU94A, GLU95A, GLU98A, GLY107A, GLY114A, GLY126A, GLY181A, GLY206C, GLY218C, GLY235C, GLY238C, GLY242C, GLY254C, GLY47C, GLY78A, HIS109A, HIS201A, HIS201C, HIS210C, HIS237C, HIS54C, HIS82A, ILE106A, ILE108A, ILE211C, ILE230C, ILE236C, ILE83A, ILE97A, LEU100A, LEU102A, LEU118A, LEU119A, LEU122A, LEU127A, LEU159A, LEU162A, LEU166A, LEU202A, LEU202C, LEU207C, LEU209C, LEU215C, LEU224C, LEU227C, LEU228C, LEU241C, LEU245C, LEU246C, LEU250C, LEU31C, LEU34C, LEU43C, LEU65A, LEU74A, LEU74C, LEU87A, LEU96A, LYS208C, LYS23A, LYS251C, LYS44C, PHE167A, PHE173A, PHE195A, PHE38C, PHE45C, PHE62A, PRO116A, PRO164A, PRO177A, PRO205A, PRO205C, PRO244C, PRO36C, PRO49C, PRO6C, PRO77A, PRO77C, PRO8C, SER104A, SER111A, SER174A, SER175A, SER198C, SER232C, SER253C, SER88A, THR105A, THR110A, THR180A, THR200A, THR200C, THR220C, THR234C, THR72A, THR72C, THR92A, TRP156A, TRP28C, TYR170A, TYR203A, TYR203C, TYR42C, TYR75A, TYR75C, VAL103A, VAL113A, VAL115A, VAL117A, VAL121A, VAL171A, VAL176A, VAL204C, VAL231C, VAL233C, VAL39C, VAL48C, VAL79A, VAL99A
• B-C: ALA169C, ALA194B, ALA197B, ALA199B, ALA214B, ALA219B, ALA221B, ALA239B, ALA243B, ALA248B, ALA249B, ALA41B, ALA46B, ALA66C, ALA67B, ALA69C, ALA71C, ALA76B, ALA76C, ALA80C, ALA86C, ALA91C, ARG128C, ARG137C, ARG138C, ARG179C, ARG212B, ARG216B, ARG252B, ARG33B, ARG37B, ARG51B, ARG52B, ARG81C, ARG85C, ARG93C, ASN112C, ASN213B, ASP163C, ASP165C, ASP196B, ASP35B, ASP40B, ASP68B, ASP68C, CYS193B, CYS70C, GLN73B, GLN73C, GLN7B, GLU101C, GLU120C, GLU123C, GLU124C, GLU125C, GLU168C, GLU172C, GLU222B, GLU223B, GLU226B, GLU229B, GLU240B, GLU247B, GLU84C, GLU94C, GLU95C, GLU98C, GLY107C, GLY114C, GLY126C, GLY181C, GLY206B, GLY218B, GLY235B, GLY238B, GLY242B, GLY254B, GLY47B, GLY78C, HIS109C, HIS201B, HIS201C, HIS210B, HIS237B, HIS54B, HIS82C, ILE106C, ILE108C, ILE211B, ILE230B, ILE236B, ILE83C, ILE97C, LEU100C, LEU102C, LEU118C, LEU119C, LEU122C, LEU127C, LEU159C, LEU162C, LEU166C, LEU202B, LEU202C, LEU207B, LEU209B, LEU215B, LEU224B, LEU227B, LEU228B, LEU241B, LEU245B, LEU246B, LEU250B, LEU31B, LEU34B, LEU43B, LEU65C, LEU74B, LEU74C, LEU87C, LEU96C, LYS208B, LYS23C, LYS251B, LYS44B, PHE167C, PHE173C, PHE195C, PHE38B, PHE45B, PRO116C, PRO164C, PRO177C, PRO205B, PRO205C, PRO244B, PRO36B, PRO49B, PRO77B, PRO77C, PRO8B, SER104C, SER111C, SER174C, SER175C, SER198B, SER232B, SER253B, SER30B, SER88C, THR105C, THR110C, THR180C, THR200B, THR200C, THR220B, THR234B, THR72B, THR72C, THR92C, TRP156C, TRP28B, TYR170C, TYR203B, TYR203C, TYR42B, TYR75B, TYR75C, VAL103C, VAL113C, VAL115C, VAL117C, VAL121C, VAL171C, VAL176C, VAL204B, VAL231B, VAL233B, VAL32B, VAL39B, VAL48B, VAL79C, VAL99C