3R64

crystal structure of a nad-dependent benzaldehyde dehydrogenase from corynebacterium glutamicum

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 178
  • Norm. En. per Res.: -3.2556
• 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	-27.0176	-33.3591	-113.802	-174.1787	85	5	1	4651	3	39	21
A-C	-122.8585	-39.4793	-371.851	-534.1888	186	26	15	16405	5	67	51
A-D	-62.055	103.6691	-234.182	-192.5679	94	13	3	8358	0	24	37
B-C	-40.4157	83.7927	-220.46	-177.0831	84	18	3	8153	1	25	38
B-D	-147.3083	-43.9568	-388.228	-579.4931	178	27	14	17052	6	64	48
C-D	0.0	-16.5368	-45.2738	-61.8106	64	2	0	2154	1	35	18

Interface residues

• A-B: ALA122A, ALA122B, ALA403B, ALA405B, ALA406B, ALA428B, ALA429A, ALA429B, ALA432B, ALA71A, ALA71B, ALA72A, ALA72B, ALA76A, ALA76B, ARG127A, ARG127B, ARG131A, ARG131B, ARG143A, ARG143B, ARG427B, ARG485A, ARG485B, ARG74B, ARG80A, ARG80B, ASN116A, ASN116B, ASN489A, ASP401B, ASP424B, ASP426A, ASP426B, ASP469A, ASP469B, GLN430A, GLN430B, GLN434B, GLN493A, GLU120A, GLU120B, GLU141A, GLU141B, GLU402B, GLU488A, GLU73B, GLU83A, GLU83B, GLY126A, GLY126B, GLY468A, GLY468B, HIS129A, HIS129B, HIS404B, ILE132A, ILE132B, ILE425A, ILE425B, ILE483A, ILE483B, ILE77B, LEU270B, LEU433A, LEU433B, LEU490A, LYS119A, LYS119B, PHE124A, PHE124B, PHE431B, PHE492A, PRO125A, PRO125B, SER123A, SER123B, SER486A, SER75A, SER75B, TYR491A, TYR79A, TYR79B, VAL128A, VAL128B
• A-C: ALA248A, ALA248C, ALA277C, ALA418A, ALA418C, ALA419A, ALA419C, ALA428A, ALA428C, ALA429A, ALA429C, ALA432A, ALA432C, ARG127A, ARG127C, ARG131A, ARG131C, ARG143A, ARG143C, ARG146A, ARG146C, ARG167A, ARG167C, ARG242A, ARG242C, ARG243A, ARG243C, ARG465A, ARG479A, ARG479C, ARG485A, ARG485C, ASN116A, ASN116C, ASN136A, ASN136C, ASN142A, ASN142C, ASN250A, ASN410A, ASN410C, ASN443A, ASN443C, ASN467A, ASN467C, ASN489A, ASP274C, ASP413A, ASP413C, ASP424A, ASP424C, ASP426A, ASP426C, ASP436A, ASP436C, ASP444A, ASP444C, ASP469A, ASP469C, ASP478A, ASP478C, CYS294A, CYS294C, GLN430A, GLN430C, GLN434A, GLN434C, GLU120A, GLU120C, GLU141A, GLU141C, GLU246A, GLU246C, GLU407A, GLU473A, GLU473C, GLU488A, GLY130A, GLY241A, GLY241C, GLY245A, GLY245C, GLY251A, GLY252A, GLY415A, GLY415C, GLY438A, GLY438C, GLY468A, GLY468C, GLY482A, GLY482C, HIS129A, HIS441A, HIS441C, ILE249A, ILE249C, ILE425A, ILE425C, ILE435A, ILE435C, ILE442A, ILE442C, ILE472A, ILE472C, ILE481A, ILE481C, ILE483A, ILE483C, LEU247A, LEU247C, LEU259A, LEU259C, LEU261A, LEU261C, LEU416A, LEU416C, LEU433A, LEU433C, LYS119A, LYS140A, LYS140C, LYS149A, LYS149C, LYS230A, LYS230C, LYS255C, LYS423A, LYS423C, LYS484A, LYS484C, LYS60A, LYS60C, MET254A, MET254C, MET295A, MET295C, MET439A, MET439C, PHE414A, PHE414C, PHE431A, PHE431C, PHE466A, PHE466C, PRO134A, PRO134C, PRO239C, PRO253A, SER133A, SER133C, SER412A, SER412C, SER417A, SER417C, SER422A, SER422C, SER437A, SER437C, SER486A, THR137A, THR137C, THR238A, THR238C, THR477A, THR477C, TRP421A, TRP421C, TRP470A, TRP470C, TRP480A, TRP480C, TYR145A, TYR145C, TYR491A, VAL144A, VAL144C, VAL147A, VAL147C, VAL240C, VAL244C, VAL257C, VAL420A, VAL420C, VAL440A, VAL440C
• A-D: ALA428D, ALA429A, ALA429D, ALA64D, ALA68A, ALA68D, ALA71A, ALA71D, ALA72A, ALA72D, ARG127A, ARG127D, ARG131A, ARG131D, ARG143A, ARG143D, ARG146A, ARG146D, ARG427A, ARG427D, ARG479A, ARG479D, ARG485A, ARG74A, ARG74D, ASN136A, ASN136D, ASN142A, ASN142D, ASP424A, ASP424D, ASP426A, ASP426D, GLN430A, GLN430D, GLN493A, GLU141A, GLU141D, GLU65D, GLU73A, GLU73D, GLY126A, GLY126D, GLY130A, GLY130D, GLY139A, GLY139D, HIS129A, HIS129D, ILE132A, ILE132D, ILE425A, ILE425D, ILE481A, ILE481D, ILE483A, ILE483D, LEU490A, LYS140A, LYS140D, LYS423D, PHE124A, PHE124D, PHE492A, PRO125A, PRO125D, PRO134A, PRO134D, PRO138A, PRO138D, PRO70A, PRO70D, SER123A, SER123D, SER133A, SER133D, SER135A, SER135D, SER75A, SER75D, THR137A, THR137D, THR69A, THR69D, TRP480A, TRP480D, TYR145A, TYR145D, VAL128A, VAL128D, VAL144A, VAL144D, VAL147A, VAL147D
• B-C: ALA429C, ALA68B, ALA68C, ALA71B, ALA71C, ALA72B, ALA72C, ARG127B, ARG127C, ARG131B, ARG131C, ARG143B, ARG143C, ARG146B, ARG146C, ARG427B, ARG427C, ARG479B, ARG479C, ARG74B, ARG74C, ASN136B, ASN136C, ASN142B, ASN142C, ASP424B, ASP424C, ASP426B, ASP426C, GLN430B, GLU141B, GLU141C, GLU73B, GLU73C, GLY126B, GLY126C, GLY130B, GLY130C, GLY139B, GLY139C, HIS129B, HIS129C, ILE132B, ILE132C, ILE425B, ILE425C, ILE481B, ILE481C, ILE483B, ILE483C, LYS140B, LYS140C, LYS423B, LYS423C, PHE124B, PHE124C, PRO125B, PRO125C, PRO134B, PRO134C, PRO138B, PRO138C, PRO70B, PRO70C, SER123B, SER123C, SER133B, SER133C, SER135B, SER135C, SER75B, SER75C, THR137B, THR137C, THR69B, THR69C, TRP480B, TRP480C, TYR145B, TYR145C, VAL128B, VAL128C, VAL144B, VAL144C
• B-D: ALA248B, ALA248D, ALA258D, ALA277D, ALA281D, ALA418B, ALA418D, ALA419B, ALA419D, ALA428B, ALA428D, ALA429B, ALA429D, ALA432B, ALA432D, ALA64B, ALA64D, ARG127B, ARG127D, ARG131B, ARG131D, ARG143B, ARG143D, ARG146B, ARG146D, ARG167B, ARG242B, ARG242D, ARG243B, ARG243D, ARG465B, ARG465D, ARG479B, ARG479D, ARG485B, ASN116B, ASN116D, ASN136B, ASN136D, ASN142B, ASN142D, ASN250B, ASN250D, ASN410B, ASN410D, ASN443B, ASN443D, ASN467B, ASN467D, ASP413B, ASP413D, ASP424B, ASP426B, ASP426D, ASP436B, ASP436D, ASP444B, ASP444D, ASP469B, ASP469D, ASP478B, ASP478D, CYS294B, GLN430B, GLN430D, GLN434B, GLN434D, GLU120B, GLU120D, GLU141B, GLU141D, GLU246B, GLU246D, GLU473B, GLU473D, GLY241B, GLY241D, GLY245B, GLY245D, GLY251B, GLY251D, GLY252B, GLY415D, GLY438B, GLY438D, GLY468B, GLY468D, GLY482B, GLY482D, HIS129B, HIS129D, HIS441B, HIS441D, ILE249B, ILE249D, ILE425B, ILE425D, ILE435B, ILE435D, ILE442B, ILE442D, ILE472B, ILE481B, ILE481D, ILE483B, ILE483D, LEU247B, LEU247D, LEU259B, LEU259D, LEU261B, LEU261D, LEU416B, LEU416D, LEU433B, LEU433D, LYS119D, LYS140B, LYS140D, LYS149B, LYS149D, LYS230B, LYS230D, LYS255B, LYS423B, LYS484B, LYS484D, MET254B, MET254D, MET439B, MET439D, PHE414D, PHE431B, PHE431D, PHE466B, PHE466D, PRO134B, PRO134D, PRO239B, PRO239D, PRO253B, PRO253D, SER133B, SER133D, SER412D, SER417B, SER417D, SER422B, SER422D, SER437B, SER437D, THR137B, THR137D, THR238B, THR238D, THR477B, THR477D, TRP421B, TRP421D, TRP470B, TRP470D, TRP480B, TRP480D, TYR145B, TYR145D, VAL144B, VAL144D, VAL147B, VAL147D, VAL240B, VAL244B, VAL244D, VAL257B, VAL257D, VAL420B, VAL420D, VAL440B, VAL440D
• C-D: ALA122C, ALA122D, ALA429C, ALA429D, ALA71C, ALA71D, ALA72C, ALA72D, ALA76C, ALA76D, ARG127C, ARG127D, ARG131C, ARG131D, ARG143C, ARG143D, ARG485C, ARG80C, ARG80D, ASN116C, ASN116D, ASN467D, ASP426C, ASP426D, ASP469C, ASP469D, GLN430C, GLN430D, GLU120C, GLU120D, GLU141C, GLU141D, GLU83C, GLU83D, GLY126C, GLY126D, GLY468C, GLY468D, HIS129C, HIS129D, ILE132C, ILE132D, ILE425D, ILE472C, ILE472D, ILE483C, ILE483D, LEU433C, LEU433D, LYS119C, LYS119D, PHE124C, PHE124D, PRO125C, PRO125D, SER123C, SER123D, SER75C, SER75D, TRP470D, TYR79C, TYR79D, VAL128C, VAL128D