3T7C

crystal structure of carveol dehydrogenase from mycobacterium avium bound to nad

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 158
  • Norm. En. per Res.: -4.6666
• 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	0.0	-6.0561	-11.6869	-17.743	24	0	0	797	0	8	6
A-C	-111.9355	-16.1699	-609.215	-737.3204	158	21	10	22279	4	35	54
A-D	-41.5142	-71.1705	-374.532	-487.2167	138	7	22	16612	4	22	25
B-C	-42.2125	-64.0919	-393.548	-499.8524	138	8	22	16982	4	24	28
B-D	-92.3377	-24.3197	-602.802	-719.4594	158	25	8	21955	4	34	53
C-D	0.0	-6.2124	-10.5157	-16.7281	21	0	0	716	0	7	6

Interface residues

• A-B: ALA164A, ALA164B, ALA275A, ALA275B, ARG162A, ARG162B, GLU165A, GLU165B, GLY163A, GLY163B, HIS175A, HIS175B, LEU161A, LEU161B, LEU276A, LEU276B, LEU277A, LEU277B, LYS278A, LYS278B, MET236A, MET236B, VAL238A, VAL238B
• A-C: ALA132A, ALA132C, ALA136A, ALA136C, ALA139A, ALA139C, ALA164A, ALA164C, ALA172A, ALA172C, ALA185A, ALA185C, ARG112A, ARG112C, ARG115A, ARG115C, ARG122A, ARG122C, ARG137A, ARG137C, ARG162A, ARG162C, ARG182A, ARG182C, ARG191A, ARG191C, ARG78A, ARG78C, ASN114A, ASN114C, ASN130A, ASN130C, ASN166A, ASN166C, ASN169A, ASN169C, ASP117A, ASP117C, ASP123A, ASP123C, ASP126A, ASP126C, ASP76A, ASP76C, ASP79A, ASP79C, ASP81A, ASP81C, GLN84A, GLN84C, GLU165A, GLU165C, GLU187A, GLU187C, GLY110A, GLY110C, GLY131A, GLY131C, GLY159A, GLY159C, GLY160A, GLY160C, GLY163A, GLY163C, GLY168A, GLY168C, GLY176A, GLY176C, GLY179A, GLY179C, GLY189A, GLY189C, HIS142A, HIS142C, HIS175A, HIS175C, HIS178A, HIS178C, ILE125A, ILE125C, ILE134A, ILE134C, ILE140A, ILE140C, ILE152A, ILE152C, ILE158A, ILE158C, ILE167A, ILE167C, ILE171A, ILE171C, ILE193A, ILE193C, ILE197A, ILE197C, LEU113A, LEU113C, LEU129A, LEU129C, LEU161A, LEU161C, LEU177A, LEU177C, LEU180A, LEU180C, LEU186A, LEU186C, LEU188A, LEU188C, LEU276C, LYS119A, LYS119C, LYS174A, LYS174C, MET116A, MET116C, MET144A, MET144C, MET181A, MET181C, MET184A, MET184C, MET83A, MET83C, PHE154A, PHE154C, PHE80A, PHE80C, PRO118A, PRO118C, PRO141A, PRO141C, PRO190A, PRO190C, SER108A, SER173A, SER173C, THR111A, THR111C, THR120A, THR120C, THR183A, THR183C, TRP121A, TRP121C, TRP133A, TRP133C, TYR170A, TYR170C, VAL127A, VAL127C, VAL138A, VAL138C, VAL195A, VAL195C, VAL77A, VAL77C
• A-D: ALA185A, ALA185D, ALA247A, ALA247D, ALA252A, ALA252D, ALA261A, ALA261D, ALA275A, ALA275D, ARG182A, ARG182D, ARG191A, ARG191D, ARG194A, ARG194D, ARG234A, ARG262A, ARG262D, ASN192A, ASN192D, ASN196A, ASN196D, ASN251A, ASN251D, ASP248A, ASP248D, ASP259A, ASP259D, ASP260A, ASP260D, ASP272A, ASP272D, CYS199A, CYS199D, GLU187A, GLU187D, GLU245A, GLU245D, GLU30A, GLU30D, GLY149A, GLY149D, GLY150A, GLY150D, GLY179A, GLY179D, GLY189A, GLY189D, GLY266A, GLY266D, GLY273A, GLY273D, GLY274A, GLY274D, HIS178A, HIS178D, HIS237A, HIS237D, ILE158A, ILE158D, ILE193A, ILE193D, ILE241A, ILE241D, ILE249A, ILE249D, ILE253A, ILE253D, ILE264A, ILE264D, LEU161D, LEU186A, LEU186D, LEU188A, LEU188D, LEU239A, LEU239D, LEU254A, LEU254D, LEU256A, LEU256D, LEU269A, LEU269D, LEU276A, LEU276D, LEU277A, LEU277D, LYS278A, LYS278D, LYS4A, LYS4D, MET181A, MET181D, MET184A, MET184D, PHE255A, PHE255D, PRO190A, PRO190D, PRO200A, PRO200D, PRO240A, PRO240D, PRO242A, PRO242D, PRO246A, PRO246D, PRO270A, PRO270D, SER201A, SER201D, SER250A, SER250D, SER258A, SER258D, SER268A, SER268D, THR183A, THR183D, THR265A, THR265D, TYR243A, TYR243D, TYR263A, TYR263D, VAL195A, VAL195D, VAL198A, VAL198D, VAL238A, VAL238D, VAL244A, VAL244D, VAL267A, VAL267D, VAL271A, VAL271D
• B-C: ALA185B, ALA185C, ALA247B, ALA247C, ALA252B, ALA252C, ALA261B, ALA261C, ALA275B, ALA275C, ARG182B, ARG182C, ARG191B, ARG191C, ARG194B, ARG194C, ARG234C, ARG262B, ARG262C, ASN192B, ASN192C, ASN196B, ASN196C, ASN251B, ASN251C, ASP248B, ASP248C, ASP259B, ASP259C, ASP260B, ASP260C, ASP272B, ASP272C, CYS199B, CYS199C, GLU187B, GLU187C, GLU245B, GLU245C, GLU30B, GLY149B, GLY149C, GLY150B, GLY150C, GLY179B, GLY179C, GLY189B, GLY189C, GLY266B, GLY266C, GLY273B, GLY273C, GLY274B, GLY274C, HIS178B, HIS178C, HIS237B, HIS237C, ILE158B, ILE158C, ILE193B, ILE193C, ILE241B, ILE241C, ILE249B, ILE249C, ILE253B, ILE253C, ILE264B, ILE264C, LEU186B, LEU186C, LEU188B, LEU188C, LEU239B, LEU239C, LEU254B, LEU254C, LEU256B, LEU256C, LEU269B, LEU269C, LEU276B, LEU276C, LEU277B, LEU277C, LYS278B, LYS278C, LYS4B, LYS4C, MET181B, MET181C, MET184B, MET184C, PHE255B, PHE255C, PRO190B, PRO190C, PRO200B, PRO200C, PRO240B, PRO240C, PRO242B, PRO242C, PRO246B, PRO246C, PRO270B, PRO270C, SER201B, SER201C, SER202C, SER250B, SER250C, SER258B, SER258C, SER268B, SER268C, THR183B, THR183C, THR265B, THR265C, TYR243B, TYR243C, TYR263B, TYR263C, VAL195B, VAL195C, VAL198B, VAL198C, VAL203C, VAL238B, VAL238C, VAL244B, VAL244C, VAL267B, VAL267C, VAL271B, VAL271C
• B-D: ALA132B, ALA132D, ALA136B, ALA136D, ALA139B, ALA139D, ALA164B, ALA164D, ALA172B, ALA172D, ALA185B, ALA185D, ARG112B, ARG112D, ARG115B, ARG115D, ARG122B, ARG122D, ARG137B, ARG137D, ARG162B, ARG162D, ARG182B, ARG182D, ARG191B, ARG191D, ARG78B, ARG78D, ASN114B, ASN114D, ASN130B, ASN130D, ASN166B, ASN166D, ASN169B, ASN169D, ASP117B, ASP117D, ASP123B, ASP123D, ASP126B, ASP126D, ASP76B, ASP76D, ASP79B, ASP79D, ASP81B, ASP81D, GLN84B, GLN84D, GLU165B, GLU165D, GLU187B, GLU187D, GLY110B, GLY110D, GLY131B, GLY131D, GLY159B, GLY159D, GLY160B, GLY160D, GLY163B, GLY163D, GLY168B, GLY168D, GLY176B, GLY176D, GLY179B, GLY179D, GLY189B, GLY189D, HIS142B, HIS142D, HIS175B, HIS175D, HIS178B, HIS178D, ILE125B, ILE125D, ILE134B, ILE134D, ILE140B, ILE140D, ILE152B, ILE152D, ILE158B, ILE158D, ILE167B, ILE167D, ILE171B, ILE171D, ILE193B, ILE193D, ILE197B, ILE197D, LEU113B, LEU113D, LEU129B, LEU129D, LEU161B, LEU161D, LEU177B, LEU177D, LEU180B, LEU180D, LEU186B, LEU186D, LEU188B, LEU188D, LEU276B, LYS119B, LYS119D, LYS174B, LYS174D, MET116B, MET116D, MET144B, MET144D, MET181B, MET181D, MET184B, MET184D, MET83B, MET83D, PHE154B, PHE154D, PHE80B, PHE80D, PRO118B, PRO118D, PRO141B, PRO141D, PRO190B, PRO190D, SER173B, SER173D, SER268B, THR111B, THR111D, THR120B, THR120D, THR183B, THR183D, TRP121B, TRP121D, TRP133B, TRP133D, TYR170B, TYR170D, VAL127B, VAL127D, VAL138B, VAL138D, VAL195B, VAL195D, VAL77B, VAL77D
• C-D: ALA164C, ALA164D, ALA275C, ALA275D, ARG162C, ARG162D, GLU165C, GLU165D, GLY163C, GLY163D, HIS175D, LEU161C, LEU276C, LEU276D, LEU277C, LEU277D, LYS278C, LYS278D, MET236C, VAL238C, VAL238D