2Q5Q

x-ray structure of phenylpyruvate decarboxylase in complex with 3- deaza-thdp and 5-phenyl-2-oxo-valeric acid

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 317
  • Norm. En. per Res.: -3.9773
• Hub Node: A(1)

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	-173.8021	-131.3079	-955.707	-1260.8169	317	40	28	35869	10	76	56

Interface residues

• A-B: ALA107A, ALA107B, ALA278A, ALA278B, ALA27A, ALA27B, ALA286A, ALA286B, ALA34A, ALA34B, ALA402A, ALA402B, ALA431A, ALA431B, ALA457A, ALA457B, ALA470A, ALA470B, ALA480A, ALA480B, ALA483A, ALA483B, ALA484A, ALA484B, ALA50A, ALA50B, ALA74A, ALA74B, ALA76A, ALA76B, ALA82A, ALA82B, ALA84A, ALA84B, ALA88A, ALA88B, ARG116A, ARG116B, ARG157A, ARG157B, ARG165A, ARG165B, ARG295A, ARG295B, ARG443A, ARG443B, ARG444A, ARG444B, ARG463A, ARG463B, ARG478A, ARG478B, ARG492A, ARG492B, ARG522A, ARG522B, ASN284A, ASN284B, ASN441A, ASN441B, ASN472A, ASN472B, ASN78A, ASN78B, ASN81A, ASN81B, ASP119A, ASP119B, ASP25A, ASP25B, ASP282A, ASP282B, ASP302A, ASP302B, ASP429A, ASP429B, ASP473A, ASP473B, ASP475A, ASP475B, ASP476A, ASP476B, ASP481A, ASP481B, CYS442A, CYS442B, GLN114A, GLN114B, GLN121A, GLN121B, GLN123A, GLN123B, GLN433A, GLN433B, GLN466A, GLN466B, GLN536B, GLU104A, GLU104B, GLU127A, GLU127B, GLU35A, GLU35B, GLU36A, GLU36B, GLU438A, GLU438B, GLU468A, GLU468B, GLU48A, GLU48B, GLU89A, GLU89B, GLY101A, GLY105A, GLY105B, GLY108A, GLY108B, GLY115A, GLY115B, GLY21A, GLY21B, GLY24A, GLY24B, GLY399A, GLY399B, GLY403A, GLY403B, GLY405A, GLY405B, GLY430A, GLY430B, GLY436A, GLY436B, GLY440A, GLY440B, GLY485A, GLY485B, GLY487A, GLY487B, GLY488A, GLY73A, GLY73B, GLY75A, GLY75B, GLY85A, GLY85B, HIS112A, HIS112B, HIS113A, HIS113B, HIS299A, HIS299B, HIS43A, HIS43B, HIS47A, HIS47B, HIS540B, ILE128A, ILE128B, ILE22A, ILE22B, ILE279A, ILE279B, ILE292A, ILE292B, LEU109A, LEU109B, LEU110A, LEU110B, LEU111A, LEU111B, LEU118A, LEU118B, LEU275A, LEU280A, LEU280B, LEU28A, LEU28B, LEU294A, LEU294B, LEU42A, LEU42B, LEU439A, LEU439B, LEU445A, LEU445B, LEU45A, LEU45B, LEU462A, LEU462B, LEU474A, LEU474B, LEU539B, LYS126A, LYS126B, LYS32A, LYS32B, LYS537B, LYS90A, LYS90B, MET380A, MET380B, MET404A, MET404B, MET434A, MET434B, MET461A, MET461B, MET482A, MET482B, MET486A, MET486B, MET79A, MET79B, PHE122A, PHE122B, PHE125A, PHE125B, PHE26A, PHE26B, PHE285A, PHE285B, PHE301A, PHE301B, PHE30A, PHE30B, PHE31A, PHE31B, PHE406A, PHE406B, PHE432A, PHE432B, PHE465A, PHE465B, PHE471A, PHE471B, PHE479A, PHE479B, PHE513A, PHE513B, PHE532A, PHE532B, PHE53A, PHE53B, PHE77A, PHE77B, PRO100A, PRO100B, PRO23A, PRO23B, PRO29A, PRO29B, PRO398A, PRO398B, PRO409A, PRO409B, PRO467A, PRO467B, PRO49A, PRO49B, SER281A, SER281B, SER288A, SER288B, SER458A, SER458B, SER469A, SER469B, SER46A, SER46B, THR103A, THR117A, THR117B, THR120A, THR120B, THR129A, THR129B, THR283A, THR283B, THR435A, THR435B, THR44A, THR44B, THR464A, THR464B, THR71A, THR71B, TRP437A, TRP437B, TRP459A, TRP459B, TRP477A, TRP477B, TYR400A, TYR400B, TYR401A, TYR401B, TYR72A, TYR72B, TYR87A, TYR87B, VAL124A, VAL124B, VAL130A, VAL130B, VAL287A, VAL287B, VAL33A, VAL33B, VAL51A, VAL51B, VAL533B, VAL80A, VAL80B, VAL83A, VAL83B