3LV1

benzaldehyde dehydrogenase, a class 3 aldehyde dehydrogenase, with bound nadp+

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 276
  • Norm. En. per Res.: -3.8973
• 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	-190.6619	-34.4302	-850.564	-1075.6561	276	37	25	35314	2	44	54
A-C	-4.2345	33.6676	-48.9704	-19.5373	51	3	1	2189	0	13	21
A-D	0.0	-14.785	-16.4379	-31.2229	24	0	1	961	1	14	13
B-C	0.0	-6.6093	-27.1288	-33.7381	33	0	1	1320	0	22	14
B-D	-11.2863	32.9557	-50.0961	-28.4267	51	2	1	2224	0	12	22
C-D	-183.3325	-34.9354	-843.018	-1061.2859	277	37	25	35199	2	44	55

Interface residues

• A-B: ALA204A, ALA204B, ALA205A, ALA205B, ALA206A, ALA206B, ALA21A, ALA21B, ALA26A, ALA26B, ALA367A, ALA367B, ALA378A, ALA378B, ALA390A, ALA390B, ALA399A, ALA399B, ALA411A, ALA411B, ALA71A, ALA71B, ALA99A, ALA99B, ARG23A, ARG23B, ARG352A, ARG352B, ARG433A, ARG433B, ASN138A, ASN138B, ASN196A, ASN196B, ASN359A, ASN359B, ASN383A, ASN383B, ASN393A, ASN393B, ASP187A, ASP187B, ASP229A, ASP229B, ASP356A, ASP356B, ASP389A, ASP389B, ASP96A, ASP96B, CYS103A, CYS103B, GLN107A, GLN107B, GLN203A, GLN203B, GLN232A, GLN232B, GLN236A, GLN236B, GLN384A, GLN384B, GLN386A, GLN386B, GLN391A, GLN391B, GLU102A, GLU102B, GLU108A, GLU108B, GLU416A, GLU416B, GLY111A, GLY111B, GLY137A, GLY137B, GLY198A, GLY198B, GLY217A, GLY217B, GLY372A, GLY372B, GLY380A, GLY380B, GLY388A, GLY388B, GLY394A, GLY394B, GLY407A, GLY407B, GLY408A, GLY408B, GLY410A, GLY410B, GLY413A, GLY413B, GLY415A, GLY415B, GLY70A, GLY70B, HIS208A, HIS208B, HIS398A, HIS398B, HIS428A, HIS428B, HIS74A, HIS74B, HIS82A, HIS82B, ILE189A, ILE189B, ILE355A, ILE355B, ILE381A, ILE381B, ILE382A, ILE382B, ILE385A, ILE385B, ILE409A, ILE409B, ILE434A, ILE434B, ILE97A, ILE97B, ILE98A, ILE98B, LEU209A, LEU209B, LEU214A, LEU214B, LEU216A, LEU216B, LEU366A, LEU366B, LEU397A, LEU397B, LEU404A, LEU404B, LEU424A, LEU424B, LEU66A, LEU66B, LYS17A, LYS17B, LYS199A, LYS199B, LYS207A, LYS207B, LYS364A, LYS364B, LYS373A, LYS373B, LYS379A, LYS379B, LYS429A, LYS429B, LYS430A, LYS430B, MET202A, MET202B, MET375A, MET375B, MET396A, MET396B, MET414A, MET414B, PHE186A, PHE186B, PHE188A, PHE188B, PHE191A, PHE191B, PHE20A, PHE20B, PHE239A, PHE239B, PHE371A, PHE371B, PHE400A, PHE400B, PHE406A, PHE406B, PHE421A, PHE421B, PHE78A, PHE78B, PRO100A, PRO100B, PRO109A, PRO109B, PRO185A, PRO185B, PRO195A, PRO195B, PRO211A, PRO211B, PRO365A, PRO365B, PRO402A, PRO402B, PRO405A, PRO405B, PRO436A, PRO436B, PRO89A, PRO89B, PRO93A, PRO93B, PRO95A, PRO95B, SER101A, SER101B, SER194A, SER194B, SER387A, SER387B, SER401A, SER401B, SER412A, SER412B, SER431A, SER431B, SER91A, SER91B, SER94A, SER94B, THR210A, THR210B, THR22A, THR425A, THR425B, THR427A, THR427B, TYR104A, TYR104B, TYR110A, TYR110B, TYR369A, TYR369B, TYR403A, TYR403B, TYR417A, TYR417B, VAL105A, VAL105B, VAL106A, VAL106B, VAL112A, VAL112B, VAL197A, VAL197B, VAL200A, VAL200B, VAL201A, VAL201B, VAL212A, VAL212B, VAL213A, VAL368A, VAL368B, VAL370A, VAL370B, VAL392A, VAL392B, VAL395A, VAL395B, VAL432A, VAL432B, VAL435A, VAL435B, VAL90A, VAL90B, VAL92A, VAL92B
• A-C: ALA88A, ALA88C, ALA99A, ASP376A, ASP376C, ASP84A, ASP84C, ASP96A, ASP96C, CYS103A, CYS103C, GLU102A, GLU102C, GLU85A, GLU85C, GLY29A, GLY29C, HIS82A, HIS82C, ILE97A, LEU83A, LEU83C, LYS32A, LYS32C, LYS379A, MET375A, MET375C, PRO89A, PRO89C, PRO93A, PRO93C, PRO95A, PRO95C, SER91A, SER91C, SER94A, SER94C, TRP86A, TRP86C, TYR104A, TYR104C, VAL105A, VAL105C, VAL28A, VAL28C, VAL87A, VAL87C, VAL90A, VAL90C, VAL92A, VAL92C
• A-D: ALA81A, ALA81D, ASP376A, ASP376D, ASP84A, ASP84D, GLU102A, GLU102D, GLU85A, GLU85D, HIS420D, HIS82A, HIS82D, LEU83D, LYS379A, LYS379D, PHE78A, PHE78D, PRO436A, PRO436D, TRP86A, TRP86D, TYR403A, TYR403D
• B-C: ALA81B, ALA81C, ALA88B, ASP376B, ASP376C, ASP77B, ASP77C, ASP84B, ASP84C, GLU102B, GLU102C, GLU85B, GLU85C, HIS82B, HIS82C, LEU80B, LEU80C, LEU83B, LEU83C, LYS32B, LYS32C, LYS379B, LYS379C, PHE78B, PHE78C, PRO402B, PRO402C, PRO436B, PRO436C, TRP86B, TRP86C, TYR403B, TYR403C
• B-D: ALA88B, ALA88D, ALA99D, ASP27B, ASP376B, ASP376D, ASP84B, ASP84D, ASP96B, ASP96D, CYS103B, CYS103D, GLU102B, GLU102D, GLU85B, GLU85D, GLY29B, GLY29D, HIS82B, HIS82D, ILE97D, LEU83B, LEU83D, LYS32B, LYS32D, MET375B, MET375D, PRO89B, PRO89D, PRO93B, PRO93D, PRO95B, PRO95D, SER91B, SER91D, SER94B, SER94D, TRP86B, TRP86D, TYR104B, TYR104D, VAL105B, VAL105D, VAL28B, VAL28D, VAL87B, VAL87D, VAL90B, VAL90D, VAL92B, VAL92D
• C-D: ALA204C, ALA204D, ALA205C, ALA205D, ALA206C, ALA206D, ALA21C, ALA21D, ALA26C, ALA26D, ALA367C, ALA367D, ALA378C, ALA378D, ALA390C, ALA390D, ALA399C, ALA399D, ALA411C, ALA411D, ALA71C, ALA71D, ALA99C, ALA99D, ARG23C, ARG23D, ARG352C, ARG352D, ARG433C, ARG433D, ASN138C, ASN138D, ASN196C, ASN196D, ASN359C, ASN359D, ASN383C, ASN383D, ASN393C, ASN393D, ASP187C, ASP187D, ASP229C, ASP229D, ASP356C, ASP356D, ASP389C, ASP389D, ASP96C, ASP96D, CYS103C, CYS103D, GLN107C, GLN107D, GLN203C, GLN203D, GLN232C, GLN232D, GLN236C, GLN236D, GLN384C, GLN384D, GLN386C, GLN386D, GLN391C, GLN391D, GLU102C, GLU102D, GLU108C, GLU108D, GLU416C, GLU416D, GLY111C, GLY111D, GLY137C, GLY137D, GLY198C, GLY198D, GLY217C, GLY217D, GLY372C, GLY372D, GLY380C, GLY380D, GLY388C, GLY388D, GLY394C, GLY394D, GLY407C, GLY407D, GLY408C, GLY408D, GLY410C, GLY410D, GLY413C, GLY413D, GLY415C, GLY415D, GLY70D, HIS208C, HIS208D, HIS398C, HIS398D, HIS418C, HIS418D, HIS428C, HIS428D, HIS74C, HIS74D, HIS82C, HIS82D, ILE189C, ILE189D, ILE355C, ILE355D, ILE381C, ILE381D, ILE382C, ILE382D, ILE385C, ILE385D, ILE409C, ILE409D, ILE434C, ILE434D, ILE97C, ILE97D, ILE98C, ILE98D, LEU209C, LEU209D, LEU214C, LEU214D, LEU216C, LEU216D, LEU366C, LEU366D, LEU397C, LEU397D, LEU404C, LEU404D, LEU424C, LEU424D, LEU66C, LEU66D, LYS17C, LYS17D, LYS199C, LYS199D, LYS207C, LYS207D, LYS364C, LYS364D, LYS373C, LYS373D, LYS379C, LYS379D, LYS429C, LYS429D, LYS430C, LYS430D, MET202C, MET202D, MET375C, MET375D, MET396C, MET396D, MET414C, MET414D, PHE186C, PHE186D, PHE188C, PHE188D, PHE191C, PHE191D, PHE20C, PHE20D, PHE239C, PHE239D, PHE371C, PHE371D, PHE400C, PHE400D, PHE406C, PHE406D, PHE421C, PHE421D, PHE78C, PHE78D, PRO100C, PRO100D, PRO109C, PRO109D, PRO185C, PRO185D, PRO195C, PRO195D, PRO211C, PRO211D, PRO365C, PRO365D, PRO402C, PRO402D, PRO405C, PRO405D, PRO436C, PRO436D, PRO89C, PRO89D, PRO93C, PRO93D, PRO95C, PRO95D, SER101C, SER101D, SER194C, SER194D, SER387C, SER387D, SER401C, SER401D, SER412C, SER412D, SER431C, SER431D, SER91C, SER91D, SER94C, SER94D, THR210C, THR210D, THR22D, THR425C, THR425D, THR427C, THR427D, TYR104C, TYR104D, TYR110C, TYR110D, TYR369C, TYR369D, TYR403C, TYR403D, TYR417C, TYR417D, VAL105C, VAL105D, VAL106C, VAL106D, VAL112C, VAL112D, VAL197C, VAL197D, VAL200C, VAL200D, VAL201C, VAL201D, VAL212C, VAL212D, VAL213D, VAL368C, VAL368D, VAL370C, VAL370D, VAL392C, VAL392D, VAL395C, VAL395D, VAL432C, VAL432D, VAL435C, VAL435D, VAL90C, VAL90D, VAL92C, VAL92D