3FZN

intermediate analogue in benzoylformate decarboxylase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 166
  • Norm. En. per Res.: -4.1903
• 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	-73.9274	-54.1918	-864.875	-992.9942	319	22	36	38701	2	34	29
A-C	-40.6574	-7.2153	-97.3124	-145.1851	70	4	2	4452	10	22	20
A-D	-205.1983	2.0926	-471.542	-674.6478	166	25	9	18405	6	43	39
B-C	-209.4268	-7.3335	-478.834	-695.5942	166	23	9	18464	6	43	39
B-D	-39.7059	-7.1666	700.719	653.8465	82	46	2	4994	10	22	20
C-D	-102.8726	-64.2306	-874.161	-1041.2642	318	26	36	38645	2	33	32

Interface residues

• A-B: ALA102A, ALA102B, ALA108A, ALA108B, ALA115A, ALA115B, ALA116A, ALA116B, ALA237A, ALA237B, ALA255A, ALA255B, ALA308A, ALA308B, ALA399A, ALA399B, ALA400A, ALA400B, ALA431A, ALA431B, ALA437A, ALA437B, ALA442A, ALA442B, ALA44A, ALA44B, ALA460A, ALA460B, ALA465A, ALA465B, ALA470A, ALA470B, ALA485A, ALA485B, ALA487A, ALA487B, ALA48A, ALA48B, ALA72A, ALA72B, ALA73A, ALA73B, ALA78A, ALA78B, ALA81A, ALA81B, ARG101A, ARG120A, ARG120B, ARG279A, ARG279B, ARG307A, ARG307B, ARG40A, ARG40B, ARG462A, ARG462B, ARG484A, ARG484B, ASN112A, ASN112B, ASN117A, ASN117B, ASN23A, ASN23B, ASN27A, ASN27B, ASN432A, ASN432B, ASN472A, ASN472B, ASN68A, ASN68B, ASN77A, ASN77B, ASN84A, ASN84B, ASN87A, ASN87B, ASP114A, ASP114B, ASP161A, ASP161B, ASP164A, ASP164B, ASP284A, ASP284B, ASP34A, ASP34B, ASP428A, ASP428B, ASP477A, ASP477B, ASP482A, ASP482B, CYS398A, CYS398B, CYS49A, CYS49B, GLN282A, GLN282B, GLN443A, GLN443B, GLN46A, GLN46B, GLN99A, GLN99B, GLU107A, GLU107B, GLU28A, GLU28B, GLU304A, GLU304B, GLU37A, GLU37B, GLU469A, GLU469B, GLU471A, GLU471B, GLU47A, GLU47B, GLY105A, GLY105B, GLY22A, GLY22B, GLY256A, GLY256B, GLY25A, GLY25B, GLY401A, GLY401B, GLY402A, GLY402B, GLY404A, GLY404B, GLY429A, GLY429B, GLY456A, GLY456B, GLY466A, GLY466B, GLY475A, GLY475B, GLY480A, GLY480B, GLY489A, GLY489B, GLY491A, GLY491B, GLY74A, GLY74B, GLY76A, GLY76B, GLY80A, GLY80B, HIS281A, HIS281B, HIS5A, HIS5B, HIS70A, HIS70B, ILE104A, ILE104B, ILE257A, ILE257B, ILE42A, ILE42B, ILE435A, ILE435B, ILE481A, ILE481B, LEU109A, LEU109B, LEU110A, LEU110B, LEU118A, LEU118B, LEU122A, LEU122B, LEU29A, LEU29B, LEU303A, LEU303B, LEU32A, LEU32B, LEU403A, LEU403B, LEU438A, LEU438B, LEU43A, LEU43B, LEU45A, LEU45B, LEU461A, LEU461B, LEU468A, LEU468B, LEU476A, LEU476B, LEU486A, LEU486B, LEU69A, LEU69B, LEU82A, LEU82B, LYS33A, LYS33B, LYS488A, LYS488B, MET103A, MET103B, MET310A, MET310B, MET79A, MET79B, PHE278A, PHE278B, PHE31A, PHE31B, PHE35A, PHE35B, PHE397A, PHE397B, PHE39A, PHE39B, PHE464A, PHE464B, PHE483A, PHE483B, PRO119A, PRO119B, PRO121A, PRO121B, PRO235A, PRO235B, PRO238A, PRO238B, PRO24A, PRO24B, PRO276A, PRO276B, PRO285A, PRO285B, PRO309A, PRO309B, PRO30A, PRO30B, PRO36A, PRO36B, PRO474A, PRO474B, PRO479A, PRO479B, SER236A, SER236B, SER26A, SER26B, SER430A, SER430B, SER434A, SER434B, SER436A, SER436B, SER71A, SER71B, SER83A, SER83B, THR100A, THR100B, THR111A, THR111B, THR377A, THR377B, THR75A, THR75B, TRP439A, TRP439B, TRP463A, TRP463B, TRP86A, TRP86B, TYR160A, TYR160B, TYR280A, TYR280B, TYR283A, TYR283B, TYR288A, TYR288B, TYR41A, TYR41B, TYR433A, TYR433B, TYR444A, TYR444B, TYR458A, TYR458B, TYR490A, TYR490B, TYR9A, TYR9B, VAL106A, VAL106B, VAL113A, VAL113B, VAL20A, VAL20B, VAL277A, VAL277B, VAL467A, VAL467B, VAL473A, VAL473B, VAL478A, VAL478B, VAL492A, VAL492B, VAL50A, VAL50B
• A-C: ALA102A, ALA102C, ALA115A, ALA115C, ALA116A, ALA116C, ALA130A, ALA130C, ALA132A, ALA132C, ALA133A, ALA133C, ALA138A, ALA138C, ARG101A, ARG101C, ARG120A, ARG120C, ARG141A, ARG141C, ASN112A, ASN112C, ASN117A, ASN117C, ASP114A, ASP114C, ASP161A, ASP161C, ASP162A, ASP162C, ASP168A, ASP168C, GLN98A, GLN98C, GLN99A, GLN99C, GLU107A, GLU107C, GLU128A, GLU128C, GLU134A, GLU134C, GLY105A, GLY105C, HIS137A, HIS137C, ILE104A, ILE104C, MET103A, MET103C, PRO129A, PRO129C, PRO159A, PRO159C, SER126A, SER126C, SER131A, SER131C, THR100A, THR100C, THR111A, THR111C, TRP125A, TRP125C, TYR127A, TYR127C, VAL106A, VAL106C, VAL113A, VAL113C
• A-D: ALA138A, ALA138D, ALA142A, ALA142D, ALA146A, ALA146D, ALA149A, ALA149D, ALA305A, ALA305D, ALA306A, ALA306D, ALA308A, ALA308D, ALA313A, ALA313D, ALA316A, ALA316D, ALA320A, ALA320D, ALA324A, ALA324D, ARG120A, ARG120D, ARG141A, ARG141D, ARG177A, ARG177D, ARG184A, ARG184D, ARG294A, ARG294D, ARG307A, ARG307D, ASN186A, ASN186D, ASP168A, ASP168D, ASP176A, ASP176D, ASP187A, ASP187D, ASP189A, ASP189D, ASP301A, ASP301D, ASP312A, ASP312D, ASP317A, ASP317D, GLN170A, GLN170D, GLN188A, GLN188D, GLN287A, GLN287D, GLU304A, GLU304D, GLY286A, GLY286D, GLY292A, GLY292D, GLY311A, GLY311D, GLY319A, GLY319D, HIS137A, HIS137D, HIS144A, HIS144D, HIS172A, HIS172D, HIS173A, HIS173D, HIS178A, HIS178D, ILE143A, ILE143D, ILE257A, ILE257D, ILE296A, ILE296D, ILE314A, ILE314D, LEU174A, LEU174D, LEU185A, LEU185D, LEU190A, LEU190D, LEU289A, LEU289D, LEU295A, LEU295D, LEU303A, LEU303D, LEU328A, LEU328D, LYS124A, LYS124D, LYS290A, LYS290D, MET145A, MET145D, MET148A, MET148D, MET310A, MET310D, MET321A, MET321D, PHE175A, PHE175D, PRO121A, PRO121D, PRO150A, PRO150D, PRO169A, PRO169D, PRO285A, PRO291A, PRO291D, PRO302A, PRO302D, PRO309A, PRO309D, SER126A, SER126D, SER140A, SER140D, SER147A, SER147D, SER171A, SER171D, SER180A, SER180D, SER181A, SER181D, SER182A, SER182D, SER261A, SER261D, SER297A, SER297D, SER323A, SER323D, THR293A, THR293D, THR299A, THR299D, TRP125A, TRP125D, TYR283A, TYR288A, TYR288D, VAL154A, VAL154D, VAL179A, VAL179D, VAL183A, VAL183D, VAL277A, VAL277D, VAL298A, VAL298D, VAL315A, VAL315D
• B-C: ALA138B, ALA138C, ALA142B, ALA142C, ALA146B, ALA146C, ALA149B, ALA149C, ALA305B, ALA305C, ALA306B, ALA306C, ALA308B, ALA308C, ALA313B, ALA313C, ALA316B, ALA316C, ALA320B, ALA320C, ALA324B, ALA324C, ARG120B, ARG120C, ARG141B, ARG141C, ARG177B, ARG177C, ARG184B, ARG184C, ARG294B, ARG294C, ARG307B, ARG307C, ASN186B, ASN186C, ASP168B, ASP168C, ASP176B, ASP176C, ASP187B, ASP187C, ASP189B, ASP189C, ASP301B, ASP301C, ASP312B, ASP312C, ASP317B, ASP317C, CYS300B, CYS300C, GLN170B, GLN170C, GLN188B, GLN188C, GLN287B, GLN287C, GLU304B, GLU304C, GLY286B, GLY286C, GLY292C, GLY311B, GLY311C, GLY319B, GLY319C, HIS137B, HIS137C, HIS144B, HIS144C, HIS172B, HIS172C, HIS173B, HIS173C, HIS178B, HIS178C, ILE143B, ILE143C, ILE257B, ILE257C, ILE296B, ILE296C, ILE314B, ILE314C, LEU174B, LEU174C, LEU185B, LEU185C, LEU190B, LEU190C, LEU289B, LEU289C, LEU295B, LEU295C, LEU303B, LEU303C, LEU328C, LYS124B, LYS124C, LYS290B, LYS290C, MET145B, MET145C, MET148B, MET148C, MET310B, MET310C, MET321B, MET321C, PHE175B, PHE175C, PRO121B, PRO121C, PRO150B, PRO150C, PRO169B, PRO169C, PRO285B, PRO291B, PRO291C, PRO302B, PRO302C, PRO309B, PRO309C, SER126B, SER126C, SER140B, SER140C, SER147B, SER147C, SER171B, SER171C, SER180B, SER180C, SER181B, SER181C, SER182B, SER182C, SER261B, SER261C, SER297B, SER297C, SER323B, SER323C, THR293B, THR293C, THR299B, THR299C, TRP125B, TRP125C, TYR283B, TYR283C, TYR288B, TYR288C, VAL154C, VAL179B, VAL179C, VAL183B, VAL183C, VAL277B, VAL277C, VAL298B, VAL298C, VAL315B, VAL315C
• B-D: ALA102B, ALA102D, ALA115B, ALA115D, ALA116B, ALA116D, ALA130B, ALA130D, ALA132B, ALA132D, ALA133B, ALA133D, ALA138B, ALA138D, ALA465D, ALA470D, ARG101B, ARG101D, ARG120B, ARG120D, ARG141B, ARG141D, ARG462D, ASN112B, ASN112D, ASN117B, ASN117D, ASP114B, ASP114D, ASP161B, ASP161D, ASP162B, ASP162D, ASP168B, ASP168D, GLN98B, GLN98D, GLN99B, GLN99D, GLU107B, GLU107D, GLU128B, GLU128D, GLU134B, GLU134D, GLU469D, GLU471D, GLY105B, GLY105D, GLY466D, HIS137B, HIS137D, ILE104B, ILE104D, LEU118B, LEU468D, MET103B, MET103D, PHE464D, PRO129B, PRO129D, PRO159B, PRO159D, SER126B, SER126D, SER131B, SER131D, THR100B, THR100D, THR111B, THR111D, TRP125B, TRP125D, TRP463D, TRP4B, TYR127B, TYR127D, VAL106B, VAL106D, VAL113B, VAL113D, VAL467D
• C-D: ALA102C, ALA102D, ALA108C, ALA108D, ALA115C, ALA115D, ALA116C, ALA116D, ALA237C, ALA237D, ALA255C, ALA255D, ALA308C, ALA308D, ALA399C, ALA399D, ALA400C, ALA400D, ALA431C, ALA431D, ALA437C, ALA437D, ALA442C, ALA442D, ALA44C, ALA44D, ALA460C, ALA460D, ALA465C, ALA465D, ALA470C, ALA470D, ALA485C, ALA485D, ALA487C, ALA487D, ALA48C, ALA48D, ALA72C, ALA72D, ALA73C, ALA73D, ALA78C, ALA78D, ALA81C, ALA81D, ARG101D, ARG120C, ARG120D, ARG279C, ARG279D, ARG307C, ARG307D, ARG40C, ARG40D, ARG462C, ARG462D, ARG484C, ARG484D, ASN112C, ASN112D, ASN117C, ASN117D, ASN23C, ASN23D, ASN27C, ASN27D, ASN432C, ASN432D, ASN472C, ASN472D, ASN68C, ASN68D, ASN77C, ASN77D, ASN84C, ASN84D, ASN87C, ASN87D, ASP114C, ASP114D, ASP161C, ASP161D, ASP164C, ASP164D, ASP284C, ASP284D, ASP34C, ASP34D, ASP428C, ASP428D, ASP477C, ASP477D, ASP482C, ASP482D, CYS398C, CYS398D, CYS49C, CYS49D, GLN282C, GLN282D, GLN443C, GLN443D, GLN46C, GLN46D, GLN99C, GLN99D, GLU107C, GLU107D, GLU28C, GLU28D, GLU304C, GLU304D, GLU37D, GLU469C, GLU469D, GLU471C, GLU471D, GLU47C, GLU47D, GLY105C, GLY105D, GLY22C, GLY22D, GLY256C, GLY256D, GLY25C, GLY25D, GLY401C, GLY401D, GLY402C, GLY402D, GLY404C, GLY404D, GLY429C, GLY429D, GLY456C, GLY456D, GLY466C, GLY466D, GLY475C, GLY475D, GLY480C, GLY480D, GLY489C, GLY489D, GLY491C, GLY491D, GLY74C, GLY74D, GLY76C, GLY76D, GLY80C, GLY80D, HIS281C, HIS281D, HIS5C, HIS5D, HIS70C, HIS70D, ILE104C, ILE104D, ILE257C, ILE257D, ILE42C, ILE42D, ILE435C, ILE435D, ILE481C, ILE481D, LEU109C, LEU109D, LEU110C, LEU110D, LEU118C, LEU118D, LEU122C, LEU122D, LEU29C, LEU29D, LEU303C, LEU303D, LEU32C, LEU32D, LEU403C, LEU403D, LEU438C, LEU438D, LEU43C, LEU43D, LEU45C, LEU45D, LEU461C, LEU461D, LEU468C, LEU468D, LEU476C, LEU476D, LEU486C, LEU486D, LEU69C, LEU69D, LEU82C, LEU82D, LYS33C, LYS33D, LYS488C, LYS488D, MET103C, MET103D, MET310C, MET310D, MET79C, MET79D, PHE278C, PHE278D, PHE31C, PHE31D, PHE35C, PHE35D, PHE397C, PHE397D, PHE39C, PHE39D, PHE464C, PHE464D, PHE483C, PHE483D, PRO119C, PRO119D, PRO121C, PRO121D, PRO235C, PRO235D, PRO238C, PRO238D, PRO24C, PRO24D, PRO276C, PRO276D, PRO285C, PRO285D, PRO309C, PRO309D, PRO30C, PRO30D, PRO36C, PRO36D, PRO474C, PRO474D, PRO479C, PRO479D, SER236C, SER236D, SER26C, SER26D, SER430C, SER430D, SER434C, SER434D, SER436C, SER436D, SER71C, SER71D, SER83C, SER83D, THR100C, THR100D, THR111C, THR111D, THR377C, THR377D, THR75C, THR75D, TRP439C, TRP439D, TRP463C, TRP463D, TRP86C, TRP86D, TYR160C, TYR160D, TYR280C, TYR280D, TYR283C, TYR283D, TYR288C, TYR288D, TYR41C, TYR41D, TYR433C, TYR433D, TYR444C, TYR444D, TYR458C, TYR458D, TYR490C, TYR490D, TYR9C, TYR9D, VAL106C, VAL106D, VAL113C, VAL113D, VAL20C, VAL20D, VAL277C, VAL277D, VAL467C, VAL467D, VAL473C, VAL473D, VAL478C, VAL478D, VAL492C, VAL492D, VAL50C, VAL50D