3PXX

crystal structure of carveol dehydrogenase from mycobacterium avium bound to nicotinamide adenine dinucleotide

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 139
  • Norm. En. per Res.: -3.7868
• 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	-70.4523	-53.2079	-402.699	-526.3592	139	13	21	16366	8	28	24
A-E	0.0	0.0	-2.5889	-2.5889	5	0	0	135	0	0	0
A-F	-12.5134	-95.8075	-264.417	-372.7379	114	7	9	10848	10	26	13
B-C	-6.2441	-71.2319	-256.653	-334.129	111	11	10	10929	8	25	12
C-D	-70.8382	-56.8208	-389.997	-517.656	139	15	21	16244	6	28	24
D-E	-14.9646	-111.4091	-244.793	-371.1667	109	13	10	10611	12	23	12
E-F	-72.8487	-54.8916	-401.589	-529.3293	142	16	21	16407	5	28	24

Interface residues

• A-B: ALA143A, ALA143B, ALA189A, ALA189B, ALA190A, ALA190B, ALA193A, ALA193B, ALA199A, ALA199B, ALA242A, ALA242B, ALA250A, ALA250B, ALA256A, ALA256B, ALA277A, ALA277B, ALA279A, ALA279B, ARG198A, ARG198B, ARG266A, ARG266B, ARG3A, ARG3B, ASN200A, ASN200B, ASN208B, ASN255A, ASN255B, ASP252A, ASP252B, ASP263A, ASP263B, ASP276A, ASP276B, CYS258A, CYS258B, GLN187A, GLN187B, GLN191A, GLN191B, GLN195A, GLN195B, GLN241A, GLN241B, GLN272A, GLN272B, GLU249A, GLU249B, GLU264A, GLU264B, GLU29A, GLU29B, GLY142A, GLY142B, GLY270A, GLY270B, GLY278A, GLY278B, HIS203A, HIS203B, ILE197A, ILE197B, ILE202A, ILE202B, ILE253A, ILE253B, LEU186A, LEU186B, LEU188A, LEU188B, LEU192A, LEU192B, LEU260A, LEU260B, LEU271A, LEU271B, LEU281A, LEU281B, LYS25A, LYS25B, LYS274A, LYS274B, LYS282A, LYS282B, MET243A, MET243B, MET280A, MET280B, PHE259A, PHE259B, PHE273A, PHE273B, PHE283B, PRO194A, PRO194B, PRO244A, PRO244B, PRO246A, PRO246B, SER141A, SER141B, SER144B, SER183A, SER183B, SER196A, SER196B, SER251A, SER251B, SER254A, SER254B, SER262A, SER262B, SER265A, SER265B, THR185A, THR185B, THR205A, THR205B, THR245A, THR245B, THR269A, THR269B, TYR247A, TYR247B, TYR267A, TYR267B, VAL201A, VAL201B, VAL248A, VAL248B, VAL257A, VAL257B, VAL268A, VAL268B, VAL275A, VAL275B
• A-E: GLN159A, LEU281E, LYS282E, PHE283E, PRO160A
• A-F: ALA116A, ALA116F, ALA118A, ALA118F, ALA120A, ALA120F, ALA134A, ALA134F, ALA156A, ALA156F, ALA157A, ALA157F, ALA172A, ALA172F, ALA177A, ALA177F, ALA189A, ALA189F, ALA190A, ALA190F, ALA193A, ALA193F, ALA80A, ALA80F, ARG77A, ARG77F, ARG79A, ARG79F, ASN130A, ASN130F, ASP119A, ASP119F, ASP122A, ASP122F, ASP182A, ASP182F, ASP78A, ASP78F, GLN115A, GLN115F, GLN167A, GLN179A, GLN179F, GLN187A, GLN187F, GLN191A, GLN191F, GLN195A, GLN195F, GLY127A, GLY168A, GLY168F, GLY170A, GLY170F, GLY171A, GLY171F, GLY173A, GLY173F, HIS133A, HIS133F, ILE129A, ILE129F, ILE145A, ILE197A, ILE197F, LEU112F, LEU136A, LEU136F, LEU139A, LEU139F, LEU180A, LEU180F, LEU186A, LEU186F, LEU188A, LEU188F, LEU192A, LEU192F, PHE117A, PHE117F, PHE121A, PHE121F, PHE125A, PHE125F, PRO113A, PRO113F, PRO137A, PRO137F, PRO160A, PRO169A, PRO169F, PRO194A, PRO194F, SER175A, SER175F, SER183A, SER183F, THR185A, THR185F, TYR174A, TYR176A, TYR176F, TYR184A, TYR184F, VAL114A, VAL114F, VAL123A, VAL123F, VAL126A, VAL126F, VAL132A, VAL132F, VAL181A, VAL181F
• B-C: ALA116B, ALA116C, ALA118B, ALA118C, ALA120B, ALA120C, ALA134B, ALA134C, ALA156B, ALA156C, ALA157B, ALA172B, ALA172C, ALA177B, ALA177C, ALA189C, ALA190B, ALA190C, ALA193B, ALA193C, ALA80B, ALA80C, ARG77B, ARG77C, ARG79B, ARG79C, ASN130B, ASN130C, ASP119B, ASP119C, ASP122B, ASP122C, ASP182B, ASP182C, ASP78B, ASP78C, GLN115B, GLN115C, GLN167B, GLN167C, GLN179B, GLN179C, GLN187B, GLN187C, GLN191B, GLN191C, GLN195B, GLN195C, GLY127B, GLY127C, GLY168B, GLY168C, GLY170B, GLY170C, GLY171B, GLY171C, GLY173B, GLY173C, HIS133B, HIS133C, ILE129B, ILE129C, ILE145C, ILE197B, ILE197C, LEU112C, LEU136B, LEU136C, LEU139C, LEU180B, LEU180C, LEU186B, LEU186C, LEU188B, LEU188C, LEU192B, LEU192C, PHE117B, PHE117C, PHE121B, PHE121C, PHE125B, PHE125C, PRO113B, PRO113C, PRO137B, PRO137C, PRO169B, PRO169C, PRO194B, PRO194C, SER175B, SER175C, SER183B, SER183C, THR185B, THR185C, TYR176B, TYR176C, TYR184B, TYR184C, VAL114B, VAL114C, VAL123B, VAL123C, VAL126B, VAL126C, VAL132B, VAL132C, VAL181B, VAL181C
• C-D: ALA143C, ALA143D, ALA189C, ALA189D, ALA190C, ALA190D, ALA193C, ALA193D, ALA199C, ALA199D, ALA242C, ALA242D, ALA250C, ALA250D, ALA256C, ALA256D, ALA277C, ALA277D, ALA279C, ALA279D, ARG198C, ARG198D, ARG266C, ARG266D, ARG3C, ARG3D, ASN200C, ASN200D, ASN208C, ASN208D, ASN255C, ASN255D, ASP252C, ASP252D, ASP263C, ASP263D, ASP276C, ASP276D, CYS258C, CYS258D, GLN187C, GLN187D, GLN191C, GLN191D, GLN195C, GLN195D, GLN241C, GLN241D, GLN272C, GLN272D, GLU249C, GLU249D, GLU264C, GLU264D, GLU29C, GLU29D, GLY142C, GLY142D, GLY270C, GLY270D, GLY278C, GLY278D, HIS203C, HIS203D, ILE197C, ILE197D, ILE202C, ILE202D, ILE253C, ILE253D, LEU186C, LEU186D, LEU188C, LEU188D, LEU192C, LEU192D, LEU260C, LEU260D, LEU271C, LEU271D, LEU281C, LEU281D, LYS25C, LYS25D, LYS274C, LYS274D, LYS282C, LYS282D, MET243C, MET243D, MET280C, MET280D, PHE259C, PHE259D, PHE273C, PHE273D, PHE283C, PRO194C, PRO194D, PRO244C, PRO244D, PRO246C, PRO246D, SER141C, SER141D, SER144C, SER183D, SER196C, SER196D, SER251C, SER251D, SER254C, SER254D, SER262C, SER262D, SER265C, SER265D, THR185C, THR185D, THR205C, THR205D, THR245C, THR245D, THR269C, THR269D, TYR247C, TYR247D, TYR267C, TYR267D, VAL201C, VAL201D, VAL248C, VAL248D, VAL257C, VAL257D, VAL268C, VAL268D, VAL275C, VAL275D
• D-E: ALA116D, ALA116E, ALA118D, ALA118E, ALA120D, ALA120E, ALA134E, ALA156D, ALA156E, ALA157D, ALA157E, ALA172D, ALA172E, ALA177D, ALA177E, ALA189E, ALA190D, ALA190E, ALA193D, ALA193E, ARG77D, ARG77E, ARG79D, ARG79E, ASN130D, ASN130E, ASP119D, ASP119E, ASP122D, ASP122E, ASP182D, ASP182E, ASP78E, GLN115D, GLN115E, GLN167D, GLN167E, GLN179D, GLN179E, GLN187D, GLN187E, GLN191D, GLN191E, GLN195D, GLN195E, GLY127D, GLY127E, GLY168D, GLY168E, GLY170D, GLY170E, GLY171D, GLY171E, GLY173D, GLY173E, HIS133D, HIS133E, ILE129D, ILE129E, ILE145E, ILE197D, ILE197E, LEU112D, LEU112E, LEU136D, LEU136E, LEU139E, LEU180D, LEU180E, LEU186D, LEU186E, LEU188D, LEU188E, LEU192D, LEU192E, PHE117D, PHE117E, PHE121D, PHE121E, PHE125D, PHE125E, PRO113D, PRO113E, PRO137D, PRO137E, PRO169D, PRO169E, PRO194D, PRO194E, SER175D, SER175E, SER183D, SER183E, THR185D, THR185E, TYR176D, TYR176E, TYR184D, TYR184E, VAL114D, VAL114E, VAL123D, VAL123E, VAL126D, VAL126E, VAL132D, VAL132E, VAL181D, VAL181E
• E-F: ALA143E, ALA143F, ALA189E, ALA189F, ALA190E, ALA190F, ALA193E, ALA193F, ALA199E, ALA199F, ALA242E, ALA242F, ALA250E, ALA250F, ALA256E, ALA256F, ALA277E, ALA277F, ALA279E, ALA279F, ARG198E, ARG198F, ARG266E, ARG266F, ARG3E, ARG3F, ASN200E, ASN200F, ASN208E, ASN208F, ASN255E, ASN255F, ASP252E, ASP252F, ASP263E, ASP263F, ASP276E, ASP276F, CYS258E, CYS258F, GLN187E, GLN187F, GLN191E, GLN191F, GLN195E, GLN195F, GLN241E, GLN241F, GLN272E, GLN272F, GLU249E, GLU249F, GLU264E, GLU264F, GLU29E, GLU29F, GLY142E, GLY142F, GLY270E, GLY270F, GLY278E, GLY278F, HIS203E, HIS203F, ILE197E, ILE197F, ILE202E, ILE202F, ILE253E, ILE253F, LEU186E, LEU186F, LEU188E, LEU188F, LEU192E, LEU192F, LEU260E, LEU260F, LEU271E, LEU271F, LEU281E, LEU281F, LYS25E, LYS25F, LYS274E, LYS274F, LYS282E, LYS282F, MET243E, MET243F, MET280E, MET280F, PHE259E, PHE259F, PHE273E, PHE273F, PHE283E, PRO194E, PRO194F, PRO204E, PRO204F, PRO244E, PRO244F, PRO246E, PRO246F, SER141E, SER141F, SER144E, SER183E, SER183F, SER196E, SER196F, SER251E, SER251F, SER254E, SER254F, SER262E, SER262F, SER265E, SER265F, THR185E, THR185F, THR205E, THR205F, THR245E, THR245F, THR269E, THR269F, TYR247E, TYR247F, TYR267E, TYR267F, VAL201E, VAL201F, VAL248E, VAL248F, VAL257E, VAL257F, VAL268E, VAL268F, VAL275E, VAL275F