1WND

escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase as determined by kinetics and crystal stucture

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 105
  • Norm. En. per Res.: -4.3177
• 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	-113.9642	-104.4725	-229.287	-447.7237	107	23	14	10621	8	34	37
A-C	-36.4378	-138.1173	-218.714	-393.2691	121	13	2	8911	12	47	47
A-D	-188.1393	28.8833	-712.157	-871.4129	259	49	22	30817	0	64	88
B-C	-174.8407	27.6848	-716.532	-863.6879	256	26	20	30499	0	61	89
B-D	-42.7128	-132.2821	-221.164	-396.1589	122	7	2	8890	12	49	47
C-D	-103.6246	-94.6338	-255.1	-453.3584	105	17	12	10556	8	34	37

Interface residues

• A-B: ALA115A, ALA115B, ALA122A, ALA122B, ALA123A, ALA123B, ALA418A, ALA418B, ARG116A, ARG116B, ARG135A, ARG135B, ARG136A, ARG136B, ARG417A, ARG417B, ARG468A, ARG468B, ARG63A, ARG63B, ASN119A, ASN119B, ASN433A, ASN433B, ASP137A, ASP137B, ASP258A, ASP258B, ASP414A, ASP414B, CYS117A, CYS117B, GLN57A, GLN57B, GLU125A, GLU125B, GLU128A, GLU128B, GLU462A, GLU462B, GLU54B, GLY120A, GLY120B, GLY124A, GLY124B, GLY129A, GLY129B, GLY416A, GLY416B, GLY56A, GLY56B, HIS130A, HIS130B, HIS419A, HIS419B, HIS469A, HIS469B, HIS474A, HIS474B, ILE134A, ILE134B, LEU118A, LEU118B, LEU121A, LEU121B, LEU127A, LEU127B, LYS413A, LYS413B, LYS61A, LYS61B, MET133A, MET133B, MET471B, PRO138B, PRO60A, PRO60B, SER132A, SER132B, THR131A, THR131B, THR412A, THR412B, THR465A, THR465B, THR58A, THR58B, THR59A, THR59B, TRP411A, TRP411B, TYR126A, TYR126B, VAL410A, VAL410B, VAL415A, VAL415B, VAL432A, VAL432B, VAL467A, VAL467B, VAL470A, VAL470B, VAL472A, VAL472B, VAL62A, VAL62B
• A-C: ALA103A, ALA103C, ALA112A, ALA112C, ALA114A, ALA114C, ALA115A, ALA115C, ALA122A, ALA122C, ALA123C, ALA418A, ALA418C, ALA423A, ALA423C, ALA64A, ALA64C, ALA71A, ALA71C, ARG109A, ARG109C, ARG116A, ARG116C, ARG417A, ARG417C, ARG420A, ARG420C, ARG424A, ARG424C, ASN119A, ASN119C, ASP106A, ASP106C, ASP414A, ASP414C, ASP72A, ASP72C, CYS117A, CYS117C, GLU125A, GLU125C, GLU392C, GLU441A, GLU441C, GLU462A, GLU462C, GLU65A, GLU65C, GLY113A, GLY113C, GLY120A, GLY120C, GLY124A, GLY124C, GLY129A, GLY129C, GLY416A, GLY416C, HIS130A, HIS130C, HIS419A, HIS419C, HIS474A, HIS474C, LEU118A, LEU118C, LEU458A, LEU458C, LEU461A, LEU461C, LEU68A, LEU68C, LYS473A, LYS473C, LYS61A, LYS61C, LYS69C, MET133A, MET133C, MET442A, MET442C, MET456C, PHE108A, PHE108C, PHE110A, PHE110C, PHE111A, PHE111C, PRO102A, PRO102C, PRO60A, PRO60C, SER132C, SER422A, SER422C, SER440A, SER440C, SER457A, SER457C, THR131A, THR131C, THR59A, THR59C, TYR459A, TYR459C, VAL105A, VAL105C, VAL107A, VAL107C, VAL415A, VAL415C, VAL421A, VAL421C, VAL439A, VAL439C, VAL470A, VAL470C, VAL472A, VAL472C, VAL62A, VAL62C
• A-D: ALA122A, ALA122D, ALA123A, ALA123D, ALA227A, ALA227D, ALA237A, ALA237D, ALA263A, ALA263D, ALA407A, ALA407D, ALA418A, ALA418D, ALA423A, ALA423D, ALA53A, ALA53D, ARG135A, ARG135D, ARG136A, ARG136D, ARG218A, ARG218D, ARG242A, ARG242D, ARG420A, ARG420D, ARG424A, ARG424D, ARG468A, ARG468D, ASN119A, ASN119D, ASN167A, ASN397A, ASN397D, ASN400A, ASN400D, ASN433A, ASN433D, ASP137A, ASP137D, ASP401A, ASP401D, ASP463D, ASP49A, ASP49D, CYS429A, CYS429D, GLN403A, GLN403D, GLN426A, GLN426D, GLN447A, GLN447D, GLN57A, GLN57D, GLU125A, GLU125D, GLU128A, GLU128D, GLU230A, GLU230D, GLU246A, GLU246D, GLU266A, GLU441A, GLU441D, GLU462A, GLU462D, GLY120A, GLY120D, GLY124A, GLY124D, GLY129A, GLY129D, GLY140A, GLY140D, GLY229A, GLY229D, GLY405A, GLY405D, GLY428A, GLY428D, GLY445A, GLY445D, GLY446A, GLY446D, GLY451A, GLY451D, GLY453A, GLY453D, GLY460A, GLY460D, GLY56A, GLY56D, HIS130A, HIS130D, HIS231A, HIS231D, HIS235A, HIS235D, HIS244D, HIS419A, HIS419D, HIS435A, HIS435D, HIS444A, HIS444D, HIS469A, HIS469D, HIS474A, HIS474D, ILE134A, ILE134D, ILE226A, ILE226D, ILE232A, ILE232D, ILE233A, ILE233D, ILE240A, ILE240D, LEU121A, LEU121D, LEU127A, LEU127D, LEU139A, LEU139D, LEU222A, LEU222D, LEU247A, LEU247D, LEU406A, LEU406D, LEU425A, LEU425D, LEU438A, LEU438D, LEU449A, LEU449D, LEU458A, LEU458D, LYS216A, LYS216D, LYS241A, LYS241D, LYS413A, LYS413D, LYS448A, LYS448D, LYS454A, LYS454D, LYS473A, LYS473D, MET133A, MET133D, MET245A, MET245D, MET437A, MET437D, MET442A, MET442D, MET456A, MET456D, MET471A, MET471D, PHE110A, PHE110D, PHE271A, PHE271D, PHE436A, PHE436D, PHE52A, PHE52D, PRO138A, PRO138D, PRO215A, PRO215D, PRO443A, PRO443D, SER132A, SER132D, SER225A, SER225D, SER234A, SER234D, SER238A, SER238D, SER239A, SER239D, SER402A, SER402D, SER408A, SER408D, SER409A, SER409D, SER422A, SER422D, SER440A, SER440D, SER450A, SER450D, SER457A, SER457D, THR131A, THR131D, THR228A, THR228D, THR236A, THR236D, THR243A, THR243D, THR412A, THR412D, THR430A, THR430D, THR434A, THR434D, THR465A, THR465D, TRP411A, TRP411D, TRP431A, TRP431D, TYR126A, TYR126D, TYR404A, TYR404D, TYR427A, TYR427D, TYR452A, TYR452D, TYR459A, TYR459D, VAL141A, VAL217A, VAL217D, VAL396A, VAL396D, VAL410A, VAL410D, VAL415A, VAL415D, VAL421A, VAL421D, VAL432A, VAL432D, VAL439A, VAL439D, VAL466A, VAL466D, VAL467A, VAL467D, VAL470A, VAL470D, VAL472A, VAL472D
• B-C: ALA122B, ALA122C, ALA123B, ALA123C, ALA227B, ALA227C, ALA237B, ALA237C, ALA263B, ALA263C, ALA407B, ALA407C, ALA418B, ALA418C, ALA423B, ALA423C, ALA53B, ALA53C, ARG135B, ARG135C, ARG136B, ARG136C, ARG218B, ARG218C, ARG242B, ARG242C, ARG420B, ARG420C, ARG424B, ARG424C, ARG468B, ARG468C, ASN119B, ASN119C, ASN397B, ASN397C, ASN400B, ASN400C, ASN433B, ASN433C, ASP137B, ASP137C, ASP401B, ASP401C, ASP49B, CYS429B, CYS429C, GLN403B, GLN403C, GLN426B, GLN426C, GLN447B, GLN447C, GLN57B, GLN57C, GLU125B, GLU125C, GLU128B, GLU128C, GLU230B, GLU230C, GLU246B, GLU246C, GLU441B, GLU441C, GLU462B, GLU462C, GLU54C, GLY120B, GLY120C, GLY124B, GLY124C, GLY129B, GLY129C, GLY140B, GLY140C, GLY229B, GLY229C, GLY405B, GLY405C, GLY428B, GLY428C, GLY445B, GLY445C, GLY446B, GLY446C, GLY451B, GLY451C, GLY453B, GLY453C, GLY460B, GLY460C, GLY56B, GLY56C, HIS130B, HIS130C, HIS231B, HIS231C, HIS235B, HIS235C, HIS244B, HIS419B, HIS419C, HIS435B, HIS435C, HIS444B, HIS444C, HIS469B, HIS469C, HIS474B, HIS474C, ILE134B, ILE134C, ILE226B, ILE226C, ILE232B, ILE232C, ILE233B, ILE233C, ILE240B, ILE240C, LEU118B, LEU121B, LEU121C, LEU127B, LEU127C, LEU139B, LEU139C, LEU222B, LEU222C, LEU247B, LEU247C, LEU406B, LEU406C, LEU425B, LEU425C, LEU438B, LEU438C, LEU449B, LEU449C, LEU458B, LEU458C, LYS216B, LYS216C, LYS241B, LYS241C, LYS448B, LYS448C, LYS454B, LYS454C, LYS473B, LYS473C, MET133B, MET133C, MET219B, MET219C, MET245B, MET245C, MET437B, MET437C, MET442B, MET442C, MET456B, MET456C, MET471B, MET471C, PHE110B, PHE110C, PHE271B, PHE271C, PHE436B, PHE436C, PHE52B, PHE52C, PRO138B, PRO138C, PRO215B, PRO215C, PRO443B, PRO443C, SER132B, SER132C, SER225B, SER225C, SER234B, SER234C, SER238B, SER238C, SER239B, SER239C, SER402B, SER402C, SER408B, SER408C, SER409B, SER409C, SER422B, SER422C, SER440B, SER440C, SER450B, SER450C, SER457B, SER457C, THR131B, THR131C, THR228B, THR228C, THR236B, THR236C, THR243B, THR243C, THR412B, THR412C, THR430B, THR430C, THR434B, THR434C, THR465B, THR465C, TRP411B, TRP411C, TRP431B, TRP431C, TYR126B, TYR126C, TYR404B, TYR404C, TYR427B, TYR427C, TYR452B, TYR452C, TYR459B, TYR459C, VAL217B, VAL217C, VAL396B, VAL396C, VAL410B, VAL410C, VAL415B, VAL415C, VAL421B, VAL421C, VAL432B, VAL432C, VAL439B, VAL439C, VAL466B, VAL466C, VAL467B, VAL467C, VAL470B, VAL470C, VAL472B, VAL472C
• B-D: ALA103B, ALA103D, ALA112B, ALA112D, ALA114B, ALA114D, ALA115B, ALA115D, ALA122B, ALA122D, ALA123B, ALA123D, ALA418B, ALA418D, ALA423B, ALA423D, ALA64B, ALA64D, ALA71B, ALA71D, ARG109B, ARG109D, ARG116B, ARG116D, ARG417B, ARG417D, ARG420B, ARG420D, ARG424B, ARG424D, ASN119B, ASN119D, ASP106B, ASP106D, ASP414B, ASP414D, ASP72B, ASP72D, CYS117B, CYS117D, GLU125B, GLU125D, GLU441B, GLU441D, GLU462B, GLU462D, GLU65B, GLU65D, GLY113B, GLY113D, GLY120B, GLY120D, GLY124B, GLY124D, GLY129B, GLY129D, GLY416B, GLY416D, HIS130B, HIS130D, HIS419B, HIS419D, HIS474B, HIS474D, LEU118B, LEU118D, LEU458B, LEU458D, LEU461B, LEU461D, LEU68B, LEU68D, LYS473B, LYS473D, LYS61B, LYS61D, LYS69B, MET133B, MET133D, MET442B, MET442D, MET456B, MET456D, PHE108B, PHE108D, PHE110B, PHE110D, PHE111B, PHE111D, PRO102B, PRO102D, PRO60B, PRO60D, SER132D, SER422B, SER422D, SER440B, SER440D, SER457B, SER457D, THR131B, THR131D, THR59B, THR59D, TYR459B, TYR459D, VAL105B, VAL105D, VAL107B, VAL107D, VAL415B, VAL415D, VAL421B, VAL421D, VAL439B, VAL439D, VAL470B, VAL470D, VAL472B, VAL472D, VAL62B, VAL62D
• C-D: ALA115C, ALA115D, ALA122C, ALA122D, ALA123C, ALA123D, ALA418C, ALA418D, ARG116C, ARG116D, ARG135C, ARG135D, ARG136C, ARG136D, ARG417C, ARG417D, ARG420C, ARG420D, ARG468C, ARG468D, ARG63C, ARG63D, ASN119C, ASN119D, ASN433C, ASN433D, ASP137C, ASP137D, ASP258C, ASP258D, ASP414C, ASP414D, CYS117C, CYS117D, GLN57C, GLN57D, GLU125C, GLU125D, GLU128C, GLU128D, GLU462C, GLU462D, GLY120C, GLY120D, GLY124C, GLY124D, GLY129C, GLY129D, GLY416C, GLY416D, GLY56C, GLY56D, HIS130C, HIS130D, HIS419C, HIS419D, HIS469C, HIS469D, HIS474C, HIS474D, ILE134C, ILE134D, LEU118C, LEU118D, LEU121C, LEU121D, LEU127C, LEU127D, LYS413C, LYS413D, LYS61C, LYS61D, MET133C, MET133D, MET471C, PRO60C, PRO60D, SER132C, SER132D, THR131C, THR131D, THR412C, THR412D, THR58C, THR58D, THR59C, THR59D, TRP411C, TRP411D, TYR126C, TYR126D, VAL410C, VAL410D, VAL415C, VAL415D, VAL432C, VAL432D, VAL467C, VAL467D, VAL470C, VAL470D, VAL472C, VAL472D, VAL62C, VAL62D