3D7K

crystal structure of benzaldehyde lyase in complex with the inhibitor mbp

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 303
  • Norm. En. per Res.: -3.5352
• 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	-115.0869	-99.5453	-856.535	-1071.1672	303	38	17	34870	8	60	39

Interface residues

• A-B: ALA114A, ALA114B, ALA120A, ALA120B, ALA122A, ALA122B, ALA123A, ALA123B, ALA278A, ALA278B, ALA28A, ALA28B, ALA36A, ALA36B, ALA394A, ALA394B, ALA480A, ALA480B, ALA488A, ALA488B, ALA508A, ALA508B, ALA509A, ALA509B, ALA510A, ALA510B, ALA513A, ALA513B, ALA51A, ALA51B, ALA52A, ALA52B, ALA74A, ALA74B, ALA81A, ALA81B, ALA86A, ALA86B, ARG279A, ARG279B, ARG310A, ARG310B, ARG463A, ARG463B, ARG48A, ARG48B, ARG493A, ARG493B, ARG498A, ARG498B, ARG92A, ARG92B, ASN110A, ASN110B, ASN283A, ASN283B, ASN492A, ASN492B, ASN501A, ASN501B, ASN541A, ASN80A, ASN80B, ASN87A, ASN87B, ASP106A, ASP106B, ASP107A, ASP107B, ASP117A, ASP117B, ASP31A, ASP31B, ASP39A, ASP39B, ASP41A, ASP41B, ASP448A, ASP448B, ASP459A, ASP459B, ASP46A, ASP46B, CYS306A, CYS306B, CYS37A, CYS37B, GLN113A, GLN113B, GLN118A, GLN118B, GLN300A, GLN300B, GLN35A, GLN35B, GLN465B, GLN476A, GLN476B, GLN485A, GLN485B, GLN486A, GLN486B, GLU108A, GLU108B, GLU307A, GLU307B, GLU457A, GLU457B, GLU500A, GLU500B, GLU50A, GLU50B, GLU8A, GLU8B, GLY115A, GLY115B, GLY24B, GLY27A, GLY27B, GLY281A, GLY281B, GLY287A, GLY287B, GLY416A, GLY416B, GLY419A, GLY419B, GLY422A, GLY422B, GLY447A, GLY447B, GLY449A, GLY449B, GLY452A, GLY452B, GLY456A, GLY456B, GLY490A, GLY490B, GLY496A, GLY496B, GLY502A, GLY502B, GLY506A, GLY506B, GLY512A, GLY512B, GLY75A, GLY75B, GLY76A, GLY76B, GLY77A, GLY77B, HIS26A, HIS26B, HIS286A, HIS286B, HIS29A, HIS29B, HIS40A, HIS40B, HIS415A, HIS415B, HIS49A, HIS49B, HIS505A, HIS505B, HIS55A, HIS55B, ILE116A, ILE116B, ILE125A, ILE125B, ILE30A, ILE30B, ILE44A, ILE44B, ILE455A, ILE455B, ILE45A, ILE45B, ILE472A, ILE472B, ILE85A, ILE85B, LEU112A, LEU112B, LEU25A, LEU25B, LEU282A, LEU282B, LEU311A, LEU311B, LEU38A, LEU38B, LEU398A, LEU398B, LEU418A, LEU418B, LEU461A, LEU461B, LEU482A, LEU482B, LEU499A, LEU499B, LEU90A, LEU90B, LYS464A, LYS464B, MET121A, MET121B, MET167A, MET167B, MET421A, MET421B, PHE280A, PHE280B, PHE34A, PHE34B, PHE458A, PHE458B, PHE484A, PHE484B, PHE511A, PHE511B, PHE78A, PHE78B, PRO124A, PRO124B, PRO43A, PRO43B, PRO84A, PRO84B, SER420A, SER420B, SER450A, SER450B, SER454A, SER454B, SER477A, SER477B, SER503A, SER503B, THR109A, THR109B, THR111A, THR111B, THR284A, THR284B, THR32A, THR32B, THR460A, THR460B, THR47A, THR47B, THR481A, THR481B, THR495A, THR495B, THR497A, THR497B, THR5A, THR5B, THR73A, THR73B, THR79A, THR79B, THR83A, THR83B, TRP163A, TRP163B, TRP478A, TRP478B, TRP89A, TRP89B, TYR239A, TYR239B, TYR397A, TYR397B, TYR417A, TYR417B, TYR453A, TYR453B, TYR504A, TYR504B, VAL119A, VAL119B, VAL423A, VAL423B, VAL42B, VAL451A, VAL451B, VAL462A, VAL462B, VAL489A, VAL489B, VAL494A, VAL494B, VAL507A, VAL507B, VAL72B, VAL82A, VAL82B