3UVE

crystal structure of carveol dehydrogenase ((+)-trans-carveol dehydrogenase) from mycobacterium avium

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 141
  • Norm. En. per Res.: -4.071
• 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	-98.4692	23.9238	-446.859	-521.4044	144	12	21	17639	4	46	61
A-C	-7.7238	1.4331	-16.4107	-22.7015	24	1	2	983	0	4	8
A-D	-76.6507	-72.9487	-406.201	-555.8004	140	10	18	17128	14	30	30
B-C	-75.875	-85.4228	-412.715	-574.0128	141	10	18	17324	13	30	30
B-D	-7.1853	1.3964	-16.8363	-22.6252	25	0	2	980	0	4	8
C-D	-100.1943	23.8977	-445.889	-522.1856	145	11	21	17630	4	46	61

Interface residues

• A-B: ALA134A, ALA134B, ALA142A, ALA142B, ALA167A, ALA167B, ALA176A, ALA176B, ALA177A, ALA177B, ALA187A, ALA187B, ARG186A, ARG186B, ARG82A, ARG82B, ASN132A, ASN132B, ASP115A, ASP115B, ASP118A, ASP118B, ASP124A, ASP124B, ASP130A, ASP130B, ASP83A, ASP83B, ASP85A, ASP85B, GLN194A, GLN194B, GLU122A, GLU122B, GLU123A, GLU123B, GLU191A, GLU191B, GLY114A, GLY114B, GLY135A, GLY135B, GLY143A, GLY143B, GLY163A, GLY163B, GLY164A, GLY164B, GLY172A, GLY172B, GLY180A, GLY180B, GLY183A, GLY183B, GLY189A, GLY189B, GLY193A, GLY193B, HIS170A, HIS170B, HIS173A, HIS173B, HIS179A, HIS179B, HIS195A, HIS195B, ILE129A, ILE129B, ILE148A, ILE148B, ILE156A, ILE156B, LEU117A, LEU117B, LEU133A, LEU133B, LEU158A, LEU158B, LEU165A, LEU165B, LEU184A, LEU184B, LEU192A, LEU192B, LYS119A, LYS119B, LYS138A, LYS138B, LYS141A, LYS141B, LYS166A, LYS166B, LYS178A, LYS178B, LYS88A, LYS88B, MET185A, MET185B, PHE188A, PHE188B, PRO145A, PRO145B, PRO169A, PRO169B, SER121A, SER121B, THR116A, THR116B, THR120A, THR120B, THR126A, THR126B, THR171A, THR171B, THR272A, THR272B, TRP125A, TRP125B, TRP137A, TRP137B, TYR168A, TYR168B, TYR174A, TYR174B, TYR84A, TYR84B, VAL136A, VAL136B, VAL140A, VAL140B, VAL144A, VAL144B, VAL162A, VAL162B, VAL175A, VAL175B, VAL181A, VAL181B, VAL182A, VAL182B, VAL190A, VAL190B, VAL199A, VAL199B
• A-C: ALA167A, ALA167C, CYS280A, CYS280C, HIS179A, HIS179C, LEU165A, LEU165C, LEU281A, LEU281C, LYS166A, LYS166C, LYS282A, LYS282C, PHE240A, PHE240C, PRO169A, PRO169C, SER279A, SER279C, TYR168A, TYR168C, VAL175A, VAL175C
• A-D: ALA187A, ALA187D, ALA256A, ALA256D, ALA265A, ALA265D, ALA277A, ALA277D, ARG186A, ARG186D, ARG198A, ARG198D, ARG266A, ARG266D, ARG26A, ARG26D, ARG4A, ARG4D, ASN200A, ASN200D, ASN255A, ASN255D, ASP252A, ASP252D, ASP263A, ASP263D, ASP276A, ASP276D, CYS280A, CYS280D, GLN194A, GLN194D, GLN238A, GLN238D, GLU191A, GLU191D, GLU249A, GLU249D, GLU264A, GLU264D, GLU30A, GLU30D, GLY153A, GLY153D, GLY154A, GLY154D, GLY183A, GLY183D, GLY189A, GLY189D, GLY193A, GLY193D, GLY270A, GLY270D, GLY278A, GLY278D, HIS195A, HIS195D, HIS203A, HIS203D, HIS241A, HIS241D, ILE197A, ILE197D, ILE245A, ILE245D, ILE251A, ILE251D, ILE253A, ILE253D, ILE268A, ILE268D, ILE275A, ILE275D, LEU165A, LEU165D, LEU192A, LEU192D, LEU243A, LEU243D, LEU258A, LEU258D, LEU273A, LEU273D, LEU281A, LEU281D, LYS282A, LYS282D, MET185A, MET185D, MET196A, MET196D, PHE188A, PHE188D, PHE259A, PHE259D, PHE260A, PHE260D, PRO204A, PRO204D, PRO244A, PRO244D, PRO246A, PRO246D, PRO250A, PRO250D, PRO274A, PRO274D, SER254A, SER254D, SER262A, SER262D, SER279A, SER279D, THR205A, THR205D, THR242A, THR242D, THR269A, THR269D, THR272A, THR272D, TRP247A, TRP247D, TYR267A, TYR267D, VAL182A, VAL182D, VAL190A, VAL190D, VAL199A, VAL199D, VAL202A, VAL202D, VAL248A, VAL248D, VAL257A, VAL257D, VAL271A, VAL271D
• B-C: ALA187B, ALA187C, ALA256B, ALA256C, ALA265B, ALA265C, ALA277B, ALA277C, ARG186B, ARG186C, ARG198B, ARG198C, ARG266B, ARG266C, ARG26B, ARG26C, ARG4B, ARG4C, ASN200B, ASN200C, ASN255B, ASN255C, ASP252B, ASP252C, ASP263B, ASP263C, ASP276B, ASP276C, CYS280B, CYS280C, GLN194B, GLN194C, GLN238B, GLN238C, GLU191B, GLU191C, GLU249B, GLU249C, GLU264B, GLU264C, GLU30B, GLU30C, GLY153B, GLY153C, GLY154B, GLY154C, GLY183B, GLY183C, GLY189B, GLY189C, GLY193B, GLY193C, GLY270B, GLY270C, GLY278B, GLY278C, HIS195B, HIS195C, HIS203B, HIS203C, HIS241B, HIS241C, ILE197B, ILE197C, ILE245B, ILE245C, ILE251B, ILE251C, ILE253B, ILE253C, ILE268B, ILE268C, ILE275B, ILE275C, LEU165B, LEU165C, LEU192B, LEU192C, LEU243B, LEU243C, LEU258B, LEU258C, LEU273B, LEU273C, LEU281B, LEU281C, LYS282B, LYS282C, MET185B, MET185C, MET196B, MET196C, PHE188B, PHE188C, PHE259B, PHE259C, PHE260B, PHE260C, PRO204B, PRO204C, PRO244B, PRO244C, PRO246B, PRO246C, PRO250B, PRO250C, PRO274B, PRO274C, SER254B, SER254C, SER262B, SER262C, SER279B, SER279C, THR205B, THR205C, THR242B, THR242C, THR269B, THR269C, THR272B, THR272C, TRP247B, TRP247C, TYR267B, TYR267C, VAL182B, VAL182C, VAL190B, VAL190C, VAL199B, VAL199C, VAL202B, VAL202C, VAL207C, VAL248B, VAL248C, VAL257B, VAL257C, VAL271B, VAL271C
• B-D: ALA167B, ALA167D, CYS280B, CYS280D, HIS179B, HIS179D, LEU165B, LEU165D, LEU281B, LEU281D, LYS166B, LYS166D, LYS282B, LYS282D, PHE240B, PHE240D, PRO169B, PRO169D, SER279B, SER279D, THR242B, TYR168B, TYR168D, VAL175B, VAL175D
• C-D: ALA134C, ALA134D, ALA142C, ALA142D, ALA167C, ALA167D, ALA176C, ALA176D, ALA177C, ALA177D, ALA187C, ALA187D, ARG186C, ARG186D, ARG82C, ARG82D, ASN132C, ASN132D, ASP115C, ASP115D, ASP118C, ASP118D, ASP124C, ASP124D, ASP130C, ASP130D, ASP83C, ASP83D, ASP85C, ASP85D, CYS280C, GLN194C, GLN194D, GLU122C, GLU122D, GLU123C, GLU123D, GLU191C, GLU191D, GLY114C, GLY114D, GLY135C, GLY135D, GLY143C, GLY143D, GLY163C, GLY163D, GLY164C, GLY164D, GLY172C, GLY172D, GLY180C, GLY180D, GLY183C, GLY183D, GLY189C, GLY189D, GLY193C, GLY193D, HIS170C, HIS170D, HIS173C, HIS173D, HIS179C, HIS179D, HIS195C, HIS195D, ILE129C, ILE129D, ILE148C, ILE148D, ILE156C, ILE156D, LEU117C, LEU117D, LEU133C, LEU133D, LEU158C, LEU158D, LEU165C, LEU165D, LEU184C, LEU184D, LEU192C, LEU192D, LYS119C, LYS119D, LYS138C, LYS138D, LYS141C, LYS141D, LYS166C, LYS166D, LYS178C, LYS178D, LYS88C, LYS88D, MET185C, MET185D, PHE188C, PHE188D, PRO145C, PRO145D, PRO169C, PRO169D, SER121C, SER121D, THR116C, THR116D, THR120C, THR120D, THR126C, THR126D, THR171C, THR171D, THR272C, THR272D, TRP125C, TRP125D, TRP137C, TRP137D, TYR168C, TYR168D, TYR174C, TYR174D, TYR84C, TYR84D, VAL136C, VAL136D, VAL140C, VAL140D, VAL144C, VAL144D, VAL162C, VAL162D, VAL175C, VAL175D, VAL181C, VAL181D, VAL182C, VAL182D, VAL190C, VAL190D, VAL199C, VAL199D