2V3W

crystal structure of the benzoylformate decarboxylase variant l461a from pseudomonas putida

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 174
  • Norm. En. per Res.: -4.3302
• Hub Node: A(3)

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	-207.8363	-13.3386	-532.276	-753.4509	174	28	11	19988	4	48	42
A-C	-104.113	-43.7271	-1045.31	-1193.1501	324	33	36	42510	2	36	39
A-D	-35.8599	-7.9019	-110.137	-153.8988	73	8	2	4950	9	24	25
B-C	-37.9337	-71.0317	-112.908	-221.8734	71	8	2	4827	10	24	24
B-D	-150.3062	-51.9791	-1045.52	-1247.8053	326	34	35	42502	3	36	38
C-D	-210.6194	1.9074	-522.222	-730.934	174	26	11	19746	3	46	42

Interface residues

• A-B: ALA138A, ALA138B, ALA142A, ALA142B, ALA146A, ALA146B, ALA149A, ALA149B, ALA305A, ALA305B, ALA306A, ALA306B, ALA308A, ALA308B, ALA313A, ALA313B, ALA316A, ALA316B, ALA320A, ALA320B, ALA324A, ALA324B, ARG120A, ARG120B, ARG141A, ARG141B, ARG177A, ARG177B, ARG184A, ARG184B, ARG294A, ARG294B, ARG307A, ARG307B, ASN117A, ASN117B, ASN186A, ASN186B, ASP168A, ASP168B, ASP176A, ASP176B, ASP187A, ASP187B, ASP189A, ASP189B, ASP301A, ASP301B, ASP312A, ASP312B, ASP317A, ASP317B, CYS300A, CYS300B, GLN170A, GLN170B, GLN188A, GLN188B, GLN287A, GLN287B, GLU134A, GLU304A, GLU304B, GLY286A, GLY286B, GLY292A, GLY292B, GLY311A, GLY311B, GLY319A, GLY319B, HIS137A, HIS137B, HIS144A, HIS144B, HIS172A, HIS172B, HIS173A, HIS173B, HIS178A, HIS178B, ILE143A, ILE143B, ILE257A, ILE257B, ILE296A, ILE296B, ILE314A, ILE314B, LEU174A, LEU174B, LEU185A, LEU185B, LEU190A, LEU190B, LEU193B, LEU289A, LEU289B, LEU295A, LEU295B, LEU303A, LEU303B, LEU328A, LEU328B, LYS124A, LYS124B, LYS290A, LYS290B, MET145A, MET145B, MET148A, MET148B, MET310A, MET310B, MET321A, MET321B, PHE175A, PHE175B, PRO121A, PRO121B, PRO150A, PRO150B, PRO169A, PRO169B, PRO285A, PRO285B, PRO291A, PRO291B, PRO302A, PRO302B, PRO309A, PRO309B, SER126A, SER126B, SER140A, SER140B, SER147A, SER147B, SER171A, SER171B, SER180A, SER180B, SER181A, SER181B, SER182A, SER182B, SER261A, SER261B, SER297A, SER297B, SER323A, SER323B, THR293A, THR293B, THR299A, THR299B, TRP125A, TRP125B, TYR283A, TYR283B, TYR288A, TYR288B, VAL154A, VAL154B, VAL179A, VAL179B, VAL183A, VAL183B, VAL277A, VAL277B, VAL298A, VAL298B, VAL315A, VAL315B
• A-C: ALA102A, ALA102C, ALA108A, ALA108C, ALA115A, ALA115C, ALA116A, ALA116C, ALA237A, ALA237C, ALA255A, ALA255C, ALA306C, ALA308A, ALA308C, ALA399A, ALA399C, ALA400A, ALA400C, ALA431A, ALA431C, ALA437A, ALA437C, ALA442A, ALA442C, ALA44A, ALA44C, ALA460A, ALA460C, ALA461A, ALA461C, ALA465A, ALA465C, ALA470A, ALA470C, ALA485A, ALA485C, ALA487A, ALA487C, ALA48A, ALA48C, ALA72A, ALA72C, ALA73A, ALA73C, ALA78A, ALA78C, ALA81A, ALA81C, ARG101A, ARG101C, ARG120A, ARG120C, ARG279A, ARG279C, ARG307A, ARG307C, ARG40A, ARG40C, ARG462A, ARG462C, ARG484A, ARG484C, ASN112A, ASN112C, ASN117A, ASN117C, ASN23A, ASN23C, ASN27A, ASN27C, ASN432A, ASN432C, ASN472A, ASN472C, ASN68C, ASN77A, ASN77C, ASN84A, ASN84C, ASN87A, ASN87C, ASP114A, ASP114C, ASP161A, ASP161C, ASP164A, ASP164C, ASP284A, ASP284C, ASP34A, ASP34C, ASP428A, ASP428C, ASP477A, ASP477C, ASP482A, ASP482C, CYS398A, CYS398C, CYS49A, CYS49C, GLN282A, GLN282C, GLN443A, GLN443C, GLN46A, GLN46C, GLN99A, GLN99C, GLU107A, GLU107C, GLU28A, GLU28C, GLU304A, GLU304C, GLU37A, GLU37C, GLU469A, GLU469C, GLU471A, GLU471C, GLU47A, GLU47C, GLY105A, GLY105C, GLY22A, GLY22C, GLY256A, GLY256C, GLY25A, GLY25C, GLY401A, GLY401C, GLY402A, GLY402C, GLY404A, GLY404C, GLY429A, GLY429C, GLY456A, GLY456C, GLY466A, GLY466C, GLY475A, GLY475C, GLY480A, GLY480C, GLY489A, GLY489C, GLY491A, GLY491C, GLY74A, GLY74C, GLY76A, GLY76C, GLY80A, GLY80C, HIS281A, HIS281C, HIS5A, HIS5C, HIS70A, HIS70C, ILE104A, ILE104C, ILE257A, ILE257C, ILE42A, ILE42C, ILE435A, ILE435C, ILE481A, ILE481C, LEU109A, LEU109C, LEU110A, LEU110C, LEU118A, LEU118C, LEU122A, LEU122C, LEU29A, LEU29C, LEU303A, LEU303C, LEU32A, LEU32C, LEU403A, LEU403C, LEU438A, LEU438C, LEU43A, LEU43C, LEU45A, LEU45C, LEU468A, LEU468C, LEU476A, LEU476C, LEU486A, LEU486C, LEU69A, LEU69C, LEU82A, LEU82C, LYS33A, LYS33C, LYS488A, LYS488C, MET103A, MET103C, MET310A, MET310C, MET79A, MET79C, PHE278A, PHE278C, PHE31A, PHE31C, PHE35A, PHE35C, PHE397A, PHE397C, PHE39A, PHE39C, PHE405A, PHE405C, PHE464A, PHE464C, PHE483A, PHE483C, PRO119A, PRO119C, PRO121A, PRO121C, PRO235A, PRO235C, PRO238A, PRO238C, PRO24A, PRO24C, PRO276A, PRO276C, PRO285A, PRO285C, PRO309A, PRO309C, PRO30A, PRO30C, PRO36A, PRO36C, PRO474A, PRO474C, PRO479A, PRO479C, SER236A, SER236C, SER26A, SER26C, SER430A, SER430C, SER434A, SER434C, SER436A, SER436C, SER71A, SER71C, SER83A, SER83C, THR100A, THR100C, THR111A, THR111C, THR377A, THR377C, THR457C, THR75A, THR75C, TRP163A, TRP439A, TRP439C, TRP463A, TRP463C, TRP86A, TRP86C, TYR160A, TYR160C, TYR280A, TYR280C, TYR283A, TYR283C, TYR288A, TYR288C, TYR41A, TYR41C, TYR433A, TYR433C, TYR444A, TYR444C, TYR458A, TYR458C, TYR490A, TYR490C, TYR9A, TYR9C, VAL106A, VAL106C, VAL113A, VAL113C, VAL20A, VAL20C, VAL277A, VAL277C, VAL467A, VAL467C, VAL473A, VAL473C, VAL478A, VAL478C, VAL492A, VAL492C, VAL50A, VAL50C
• A-D: ALA102A, ALA102D, ALA115A, ALA115D, ALA116A, ALA116D, ALA130A, ALA130D, ALA132A, ALA132D, ALA133A, ALA133D, ALA138A, ALA138D, ARG101A, ARG101D, ARG120A, ARG120D, ARG141A, ARG141D, ASN112A, ASN112D, ASN117A, ASN117D, ASP114A, ASP114D, ASP161A, ASP161D, ASP162A, ASP162D, ASP168A, ASP168D, GLN98A, GLN98D, GLN99A, GLN99D, GLU107A, GLU107D, GLU128A, GLU128D, GLU134A, GLU134D, GLY105A, GLY105D, HIS137A, HIS137D, ILE104A, ILE104D, LEU174A, LEU174D, LYS165A, MET103A, MET103D, PRO129A, PRO129D, PRO159A, PRO159D, SER126A, SER126D, SER131A, SER131D, THR100A, THR100D, THR111A, THR111D, TRP125A, TRP125D, TYR127A, TYR127D, VAL106A, VAL106D, VAL113A, VAL113D
• B-C: ALA102B, ALA102C, ALA115B, ALA115C, ALA116B, ALA116C, ALA130B, ALA130C, ALA132B, ALA132C, ALA133B, ALA133C, ALA138B, ALA138C, ARG101B, ARG101C, ARG120B, ARG120C, ARG141B, ARG141C, ASN112B, ASN112C, ASN117B, ASN117C, ASP114B, ASP114C, ASP161B, ASP161C, ASP162B, ASP162C, ASP168B, ASP168C, GLN98B, GLN98C, GLN99B, GLN99C, GLU107B, GLU107C, GLU128B, GLU128C, GLU134B, GLU134C, GLY105B, GLY105C, HIS137B, HIS137C, ILE104B, ILE104C, LEU174C, MET103B, MET103C, PRO129B, PRO129C, PRO159B, PRO159C, SER126B, SER126C, SER131B, SER131C, THR100B, THR100C, THR111B, THR111C, TRP125B, TRP125C, TYR127B, TYR127C, VAL106B, VAL106C, VAL113B, VAL113C
• B-D: ALA102B, ALA102D, ALA108B, ALA108D, ALA115B, ALA115D, ALA116B, ALA116D, ALA237B, ALA237D, ALA255B, ALA255D, ALA308B, ALA308D, ALA399B, ALA399D, ALA400B, ALA400D, ALA431B, ALA431D, ALA437B, ALA437D, ALA442B, ALA442D, ALA44B, ALA44D, ALA460B, ALA460D, ALA461B, ALA461D, ALA465B, ALA465D, ALA470B, ALA470D, ALA485B, ALA485D, ALA487B, ALA487D, ALA48B, ALA48D, ALA72B, ALA72D, ALA73B, ALA73D, ALA78B, ALA78D, ALA81B, ALA81D, ARG101D, ARG120B, ARG120D, ARG279B, ARG279D, ARG307B, ARG307D, ARG40B, ARG40D, ARG462B, ARG462D, ARG484B, ARG484D, ASN112B, ASN112D, ASN117B, ASN117D, ASN23B, ASN23D, ASN27B, ASN27D, ASN432B, ASN432D, ASN472B, ASN472D, ASN68B, ASN68D, ASN77B, ASN77D, ASN84B, ASN84D, ASN87B, ASN87D, ASP114B, ASP114D, ASP161B, ASP161D, ASP164B, ASP164D, ASP284B, ASP284D, ASP34B, ASP34D, ASP428B, ASP428D, ASP477B, ASP477D, ASP482B, ASP482D, CYS398B, CYS398D, CYS49B, CYS49D, GLN282B, GLN282D, GLN443B, GLN443D, GLN46B, GLN46D, GLN99B, GLN99D, GLU107B, GLU107D, GLU28B, GLU28D, GLU304B, GLU304D, GLU37B, GLU37D, GLU469B, GLU469D, GLU471B, GLU471D, GLU47B, GLU47D, GLY105B, GLY105D, GLY22B, GLY22D, GLY256B, GLY256D, GLY25B, GLY25D, GLY401B, GLY401D, GLY402B, GLY402D, GLY404B, GLY404D, GLY429B, GLY429D, GLY456B, GLY456D, GLY466B, GLY466D, GLY475B, GLY475D, GLY480B, GLY480D, GLY489B, GLY489D, GLY491B, GLY491D, GLY74B, GLY74D, GLY76B, GLY76D, GLY80B, GLY80D, HIS281B, HIS281D, HIS5B, HIS5D, HIS70B, HIS70D, ILE104B, ILE104D, ILE257B, ILE257D, ILE42B, ILE42D, ILE435B, ILE435D, ILE481B, ILE481D, LEU109B, LEU109D, LEU110B, LEU110D, LEU118B, LEU118D, LEU122B, LEU122D, LEU29B, LEU29D, LEU303B, LEU303D, LEU32B, LEU32D, LEU403B, LEU403D, LEU438B, LEU438D, LEU43B, LEU43D, LEU45B, LEU45D, LEU468B, LEU468D, LEU476B, LEU476D, LEU486B, LEU486D, LEU69B, LEU69D, LEU82B, LEU82D, LYS165D, LYS33B, LYS33D, LYS488B, LYS488D, MET103B, MET103D, MET310B, MET310D, MET79B, MET79D, PHE278B, PHE278D, PHE31B, PHE31D, PHE35B, PHE35D, PHE397B, PHE397D, PHE39B, PHE39D, PHE464B, PHE464D, PHE483B, PHE483D, PRO119B, PRO119D, PRO121B, PRO121D, PRO235B, PRO235D, PRO238B, PRO238D, PRO24B, PRO24D, PRO276B, PRO276D, PRO285B, PRO285D, PRO309B, PRO309D, PRO30B, PRO30D, PRO36B, PRO36D, PRO474B, PRO474D, PRO479B, PRO479D, SER236B, SER236D, SER26B, SER26D, SER430B, SER430D, SER434B, SER434D, SER436B, SER436D, SER71B, SER71D, SER83B, SER83D, THR100B, THR100D, THR111B, THR111D, THR377B, THR377D, THR457B, THR457D, THR75B, THR75D, TRP163B, TRP163D, TRP439B, TRP439D, TRP463B, TRP463D, TRP86B, TRP86D, TYR160B, TYR160D, TYR280B, TYR280D, TYR283B, TYR283D, TYR288B, TYR288D, TYR41B, TYR41D, TYR433B, TYR433D, TYR444B, TYR444D, TYR458B, TYR458D, TYR490B, TYR490D, TYR9B, TYR9D, VAL106B, VAL106D, VAL113B, VAL113D, VAL123B, VAL123D, VAL20B, VAL20D, VAL277B, VAL277D, VAL467B, VAL467D, VAL473B, VAL473D, VAL478B, VAL478D, VAL492B, VAL492D, VAL50B, VAL50D
• C-D: ALA138C, ALA138D, ALA142C, ALA142D, ALA146C, ALA146D, ALA149C, ALA149D, ALA305C, ALA305D, ALA306C, ALA306D, ALA308C, ALA308D, ALA313C, ALA313D, ALA316C, ALA316D, ALA320C, ALA320D, ALA324C, ALA324D, ARG120C, ARG120D, ARG141C, ARG141D, ARG177C, ARG177D, ARG184C, ARG184D, ARG294C, ARG294D, ARG307C, ARG307D, ASN117C, ASN117D, ASN186C, ASN186D, ASP168C, ASP168D, ASP176C, ASP176D, ASP187C, ASP187D, ASP189C, ASP189D, ASP301C, ASP301D, ASP312C, ASP312D, ASP317C, ASP317D, CYS300C, CYS300D, GLN15D, GLN170C, GLN170D, GLN188C, GLN188D, GLN287C, GLN287D, GLU134C, GLU304C, GLU304D, GLY286C, GLY286D, GLY292C, GLY292D, GLY311C, GLY311D, GLY319C, GLY319D, HIS137C, HIS137D, HIS144C, HIS144D, HIS172C, HIS172D, HIS173C, HIS173D, HIS178C, HIS178D, ILE143C, ILE143D, ILE257C, ILE257D, ILE296C, ILE296D, ILE314C, ILE314D, LEU174C, LEU174D, LEU185C, LEU185D, LEU190C, LEU190D, LEU193C, LEU289C, LEU289D, LEU295C, LEU295D, LEU303C, LEU303D, LEU328C, LEU328D, LYS124C, LYS124D, LYS290C, LYS290D, MET145C, MET145D, MET148C, MET148D, MET310C, MET310D, MET321C, MET321D, PHE175C, PHE175D, PRO121C, PRO121D, PRO150C, PRO150D, PRO169C, PRO169D, PRO285C, PRO285D, PRO291C, PRO291D, PRO302C, PRO302D, PRO309C, PRO309D, SER126C, SER126D, SER140C, SER140D, SER147C, SER147D, SER171C, SER171D, SER180C, SER180D, SER181C, SER181D, SER182C, SER182D, SER261C, SER261D, SER297C, SER297D, SER323C, SER323D, THR293C, THR293D, THR299C, THR299D, TRP125C, TRP125D, TYR283D, TYR288C, TYR288D, VAL154C, VAL154D, VAL179C, VAL179D, VAL183C, VAL183D, VAL277C, VAL277D, VAL298C, VAL298D, VAL315C, VAL315D