3OEC

crystal structure of carveol dehydrogenase from mycobacterium thermoresistibile

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 135
  • Norm. En. per Res.: -4.7655
• 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	-99.6739	-11.2841	-506.886	-617.844	151	11	12	18806	5	18	22
A-C	0.0	0.0	-20.5873	-20.5873	31	0	2	1276	0	0	4
A-D	-69.3349	-138.3453	-432.788	-640.4681	138	8	19	16739	6	31	28
B-C	-74.1876	-137.5827	-431.57	-643.3402	135	12	19	16888	7	30	25
B-D	0.0	0.0	-20.1222	-20.1222	29	0	2	1270	0	0	4
C-D	-115.2734	-12.7391	-493.712	-621.7245	147	14	12	18718	4	18	22

Interface residues

• A-B: ALA148A, ALA148B, ALA151A, ALA151B, ALA154A, ALA154B, ALA180A, ALA180B, ALA187A, ALA187B, ALA188A, ALA188B, ALA201A, ALA201B, ALA98A, ALA98B, ARG153A, ARG153B, ARG178A, ARG178B, ARG206A, ARG206B, ARG95A, ARG95B, ASN202A, ASN202B, ASP134A, ASP134B, ASP139A, ASP96A, ASP96B, CYS152A, CYS152B, GLN101A, GLN101B, GLN135A, GLN135B, GLN136A, GLN136B, GLN142A, GLN142B, GLN183A, GLN183B, GLN194A, GLN194B, GLU128A, GLU128B, GLU161A, GLU203A, GLU203B, GLY127A, GLY127B, GLY147A, GLY147B, GLY176A, GLY176B, GLY179A, GLY179B, GLY182A, GLY182B, GLY192A, GLY192B, GLY195A, GLY195B, GLY205A, GLY205B, HIS150A, HIS150B, HIS185A, HIS185B, HIS191A, HIS191B, HIS207A, HIS207B, ILE140A, ILE140B, ILE146A, ILE146B, ILE160A, ILE160B, ILE209A, ILE209B, LEU117A, LEU117B, LEU132A, LEU132B, LEU141A, LEU141B, LEU145A, LEU145B, LEU156A, LEU156B, LEU177A, LEU177B, LEU196A, LEU196B, LEU198A, LEU198B, LEU200A, LEU200B, LEU97A, LEU97B, LYS190A, LYS190B, MET159A, MET159B, MET197A, MET197B, MET232A, PHE170A, PHE170B, PRO157A, PRO157B, PRO181A, PRO181B, SER131A, SER131B, SER138A, SER138B, SER158A, SER158B, SER184A, SER184B, SER189A, SER189B, SER199A, SER199B, THR133A, THR133B, TRP137A, TRP137B, TRP149A, TRP149B, TYR186A, TYR186B, VAL129A, VAL129B, VAL130A, VAL130B, VAL155A, VAL155B, VAL168A, VAL168B, VAL175A, VAL175B, VAL193A, VAL193B, VAL204A, VAL204B, VAL211A, VAL211B
• A-C: ALA180A, ALA180C, ALA293A, ALA293C, ALA295A, ALA295C, ARG178A, ARG178C, ARG294A, ARG294C, GLN183A, GLN183C, GLN291A, GLN291C, GLY179A, GLY179C, LEU177C, LEU252A, LEU252C, LEU254A, LEU254C, LEU292A, LEU292C, PHE233A, PHE233C, PRO181A, PRO181C, THR174A, THR174C, VAL175A, VAL175C
• A-D: ALA201A, ALA201D, ALA218D, ALA268A, ALA268D, ALA270A, ALA270D, ALA277A, ALA277D, ALA283A, ALA283D, ALA284A, ALA284D, ALA293A, ALA293D, ALA295A, ALA295D, ARG178A, ARG206A, ARG206D, ARG210A, ARG210D, ARG21A, ARG21D, ARG278A, ARG278D, ARG294A, ARG294D, ARG43A, ARG43D, ASN202A, ASN202D, ASN208A, ASN208D, ASN20A, ASN20D, ASN212A, ASN212D, ASN215A, ASN215D, ASN267A, ASN267D, ASP264A, ASP264D, ASP275A, ASP275D, ASP288A, ASP288D, ASP47A, ASP47D, GLN291A, GLN291D, GLU203A, GLU203D, GLU261A, GLU261D, GLU263A, GLU263D, GLU276A, GLU276D, GLY165A, GLY165D, GLY166A, GLY166D, GLY205A, GLY205D, GLY282A, GLY282D, GLY289A, GLY289D, GLY290A, GLY290D, HIS207A, HIS207D, HIS281A, HIS281D, ILE209A, ILE209D, ILE257A, ILE257D, ILE280A, ILE280D, ILE285A, ILE285D, LEU198A, LEU198D, LEU200A, LEU200D, LEU254A, LEU254D, LEU255A, LEU255D, LEU272A, LEU272D, LEU292A, LEU292D, MET197A, MET197D, PRO216A, PRO216D, PRO256A, PRO256D, PRO258A, PRO258D, PRO262A, PRO262D, PRO286A, PRO286D, SER199A, SER199D, SER266A, SER266D, SER274A, SER274D, THR253A, THR253D, TRP259A, TRP259D, TRP271A, TRP271D, TYR279A, TYR279D, VAL204A, VAL204D, VAL211A, VAL211D, VAL214A, VAL214D, VAL219A, VAL219D, VAL260A, VAL260D, VAL265A, VAL265D, VAL269A, VAL269D, VAL287A, VAL287D
• B-C: ALA201B, ALA201C, ALA268B, ALA268C, ALA270B, ALA270C, ALA277B, ALA277C, ALA283B, ALA283C, ALA284B, ALA284C, ALA293B, ALA293C, ALA295B, ALA295C, ARG178B, ARG206B, ARG206C, ARG210B, ARG210C, ARG21B, ARG21C, ARG278B, ARG278C, ARG294B, ARG294C, ARG43B, ARG43C, ASN202B, ASN202C, ASN208B, ASN208C, ASN20B, ASN212B, ASN212C, ASN215B, ASN215C, ASN267B, ASN267C, ASP264B, ASP264C, ASP275B, ASP275C, ASP288B, ASP288C, ASP47B, ASP47C, GLN291B, GLN291C, GLU203B, GLU203C, GLU261B, GLU261C, GLU263B, GLU263C, GLU276B, GLU276C, GLY165B, GLY165C, GLY166B, GLY166C, GLY205B, GLY205C, GLY282B, GLY282C, GLY289B, GLY289C, GLY290B, GLY290C, HIS207B, HIS207C, HIS281B, HIS281C, ILE209B, ILE209C, ILE257B, ILE257C, ILE280B, ILE280C, ILE285B, ILE285C, LEU198B, LEU198C, LEU200B, LEU200C, LEU254B, LEU254C, LEU255B, LEU255C, LEU272B, LEU272C, LEU292B, LEU292C, MET197B, MET197C, PRO216B, PRO216C, PRO256B, PRO256C, PRO258B, PRO258C, PRO262B, PRO262C, PRO286B, PRO286C, SER199B, SER199C, SER266B, SER266C, SER274B, SER274C, THR253B, THR253C, TRP259B, TRP259C, TRP271B, TRP271C, TYR279B, TYR279C, VAL204B, VAL204C, VAL211B, VAL211C, VAL214B, VAL214C, VAL219B, VAL260B, VAL260C, VAL265B, VAL265C, VAL269B, VAL269C, VAL287B, VAL287C
• B-D: ALA180B, ALA180D, ALA293B, ALA293D, ALA295B, ALA295D, ARG178B, ARG178D, ARG294B, ARG294D, GLN183B, GLN183D, GLN291B, GLN291D, GLY179B, GLY179D, LEU177D, LEU252B, LEU252D, LEU254B, LEU254D, LEU292B, LEU292D, PHE233B, PHE233D, PRO181B, PRO181D, VAL175B, VAL175D
• C-D: ALA148C, ALA148D, ALA151C, ALA151D, ALA154C, ALA154D, ALA180C, ALA180D, ALA187C, ALA187D, ALA188C, ALA188D, ALA201C, ALA201D, ALA98C, ALA98D, ARG153C, ARG153D, ARG178C, ARG178D, ARG206C, ARG206D, ARG95C, ARG95D, ASN202C, ASN202D, ASP134C, ASP134D, ASP139C, ASP139D, ASP96C, ASP96D, CYS152C, CYS152D, GLN135C, GLN135D, GLN136C, GLN136D, GLN142C, GLN142D, GLN183C, GLN183D, GLN194C, GLN194D, GLU128C, GLU128D, GLU203C, GLU203D, GLY127C, GLY127D, GLY147D, GLY176C, GLY176D, GLY179C, GLY179D, GLY182C, GLY182D, GLY192C, GLY192D, GLY195C, GLY195D, GLY205C, GLY205D, HIS150C, HIS150D, HIS185C, HIS185D, HIS191C, HIS191D, HIS207C, HIS207D, ILE140C, ILE140D, ILE146C, ILE146D, ILE160C, ILE160D, ILE209C, ILE209D, LEU117C, LEU117D, LEU132C, LEU132D, LEU141C, LEU141D, LEU145C, LEU145D, LEU156C, LEU156D, LEU177C, LEU177D, LEU196C, LEU196D, LEU198C, LEU198D, LEU200C, LEU200D, LEU97C, LEU97D, LYS190C, LYS190D, MET159C, MET159D, MET197C, MET197D, PHE170C, PHE170D, PRO157C, PRO157D, PRO181C, PRO181D, SER131C, SER131D, SER138C, SER138D, SER158C, SER158D, SER184C, SER184D, SER189C, SER189D, SER199C, SER199D, THR133C, THR133D, TRP137C, TRP137D, TRP149C, TRP149D, TYR186C, TYR186D, VAL129C, VAL129D, VAL130C, VAL130D, VAL155C, VAL155D, VAL168C, VAL168D, VAL175C, VAL175D, VAL193C, VAL193D, VAL204C, VAL204D, VAL211C, VAL211D