1VJ0

crystal structure of alcohol dehydrogenase (tm0436) from thermotoga maritima at 2.00 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 166
  • Norm. En. per Res.: -5.1405
• 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	-46.9095	-77.7094	-141.812	-266.431	88	8	6	7852	7	33	44
A-C	-156.493	-67.2259	-629.603	-853.3219	166	21	28	23309	4	37	42
A-D	-10.2763	-33.1504	-162.061	-205.4876	97	0	3	7017	3	38	28
B-C	-17.8525	24.1001	-179.847	-173.5994	99	6	5	7355	4	38	27
B-D	-151.1344	-38.9902	-639.931	-830.0556	164	24	28	23420	3	36	42
C-D	-43.8552	-81.3527	-137.054	-262.2619	86	8	6	7503	9	33	46

Interface residues

• A-B: ARG30A, ARG30B, ARG79A, ARG79B, ASN117A, ASN117B, ASN82A, ASN82B, ASN95A, ASN95B, ASP148A, ASP148B, ASP176A, ASP176B, ASP316A, ASP316B, ASP80A, ASP80B, CYS100A, CYS100B, CYS103A, CYS103B, CYS106A, CYS106B, GLU102A, GLU102B, GLU111A, GLU111B, GLU146A, GLU146B, GLU177A, GLU77A, GLY101A, GLY101B, GLY83A, GLY83B, GLY97A, GLY97B, HIS173A, HIS173B, HIS319A, HIS319B, ILE98A, ILE98B, LEU114A, LEU114B, LEU150A, LEU150B, LEU81A, LEU81B, LYS107A, LYS107B, LYS110A, LYS110B, LYS322A, LYS322B, LYS78A, LYS78B, PHE320A, PHE320B, PRO112A, PRO112B, PRO145A, PRO145B, SER109A, SER109B, SER315A, SER315B, SER318A, SER318B, THR147A, THR147B, THR317A, THR317B, THR99A, THR99B, TRP105A, TRP105B, TYR104A, TYR104B, TYR113A, TYR113B, VAL108A, VAL108B, VAL149A, VAL149B, VAL321A, VAL321B
• A-C: ALA174A, ALA174C, ALA183A, ALA183C, ALA256C, ALA268A, ALA268C, ALA285A, ALA285C, ALA288A, ALA288C, ALA307A, ALA307C, ARG118A, ARG118C, ARG254A, ARG254C, ARG267A, ARG267C, ARG277A, ARG277C, ARG278A, ARG278C, ARG56A, ARG56C, ASN117A, ASN117C, ASN306A, ASN306C, ASP257A, ASP257C, ASP265A, ASP265C, ASP292A, ASP292C, ASP54C, CYS103A, CYS103C, CYS115A, CYS115C, GLN291A, GLN291C, GLU111A, GLU111C, GLU177A, GLU177C, GLU180A, GLU180C, GLU261A, GLU261C, GLU300A, GLU300C, GLY184A, GLY184C, GLY253A, GLY253C, GLY255A, GLY255C, GLY264A, GLY264C, GLY279A, GLY279C, GLY280A, GLY280C, GLY286A, GLY286C, GLY311A, GLY311C, HIS173A, HIS173C, HIS252A, HIS252C, HIS319A, HIS319C, ILE312A, ILE312C, LEU114A, LEU114C, LEU269A, LEU269C, LEU270A, LEU270C, LEU276A, LEU276C, LEU302A, LEU302C, LEU304A, LEU304C, LYS110A, LYS110C, LYS185A, LYS185C, LYS297A, LYS297C, LYS305A, LYS305C, LYS310A, LYS310C, PHE281A, PHE281C, PHE296A, PHE296C, PHE309A, PHE309C, PRO112A, PRO112C, PRO116A, PRO116C, PRO179A, PRO179C, PRO290A, PRO290C, PRO293A, PRO293C, PRO295A, PRO295C, PRO55A, PRO55C, SER109A, SER109C, SER266A, SER266C, SER283A, SER283C, SER315A, SER315C, THR170A, THR170C, THR186A, THR186C, THR251A, THR251C, THR308A, THR308C, TRP105A, TRP105C, TRP301A, TRP301C, TRP313A, TRP313C, TYR104A, TYR104C, TYR113A, TYR113C, TYR178A, TYR178C, TYR282A, TYR282C, TYR299A, TYR299C, VAL108A, VAL108C, VAL284A, VAL284C, VAL287A, VAL287C, VAL289A, VAL289C, VAL294A, VAL294C, VAL298A, VAL298C, VAL303A, VAL303C, VAL314A, VAL314C
• A-D: ALA183A, ALA183D, ALA203A, ALA203D, ALA208A, ALA208D, ARG204A, ARG204D, ARG254A, ARG254D, ARG277A, ARG277D, ARG329A, ARG329D, ASN210A, ASN210D, ASN330A, ASN330D, ASN82A, ASN82D, ASP176A, ASP176D, ASP230A, ASP230D, ASP80A, ASP80D, GLU177A, GLU177D, GLU180A, GLU180D, GLU209A, GLU209D, GLU84A, GLU84D, GLY184A, GLY184D, GLY207A, GLY207D, GLY228A, GLY253A, GLY253D, GLY83A, GLY83D, HIS252A, HIS252D, HIS319A, HIS319D, ILE202A, ILE202D, ILE250A, ILE250D, ILE326A, ILE326D, LEU150A, LEU150D, LEU206A, LEU206D, LEU81A, LEU81D, LYS151A, LYS151D, LYS185A, LYS185D, LYS322A, LYS322D, PHE175A, PHE175D, PHE182A, PHE182D, PRO179A, PRO179D, SER181A, SER181D, SER205A, SER205D, SER318A, SER318D, SER325A, SER325D, SER328A, SER328D, THR251A, THR251D, THR323A, THR323D, THR327A, THR327D, TYR172A, TYR172D, TYR178A, TYR178D, VAL211A, VAL211D, VAL321A, VAL321D, VAL324A, VAL324D
• B-C: ALA183B, ALA183C, ALA203B, ALA203C, ALA208B, ALA208C, ALA229B, ARG204B, ARG204C, ARG254B, ARG254C, ARG277B, ARG277C, ARG329B, ARG329C, ASN210B, ASN210C, ASN330B, ASN330C, ASN82B, ASN82C, ASP176B, ASP176C, ASP230B, ASP230C, ASP80B, ASP80C, GLU177B, GLU177C, GLU180B, GLU180C, GLU209B, GLU209C, GLU84B, GLU84C, GLY184B, GLY184C, GLY207B, GLY207C, GLY228B, GLY228C, GLY253B, GLY253C, GLY83B, GLY83C, HIS252B, HIS252C, HIS319B, HIS319C, ILE202B, ILE202C, ILE250B, ILE250C, ILE326B, ILE326C, LEU150B, LEU150C, LEU206B, LEU206C, LEU81B, LEU81C, LYS151B, LYS151C, LYS185B, LYS185C, LYS322B, LYS322C, PHE175B, PHE175C, PHE182B, PHE182C, PRO179B, PRO179C, SER181B, SER181C, SER205B, SER205C, SER318B, SER318C, SER325B, SER325C, SER328B, SER328C, THR251B, THR251C, THR323B, THR323C, THR327B, THR327C, TYR172B, TYR172C, TYR178B, TYR178C, VAL211B, VAL211C, VAL321B, VAL321C, VAL324B, VAL324C
• B-D: ALA183B, ALA183D, ALA256B, ALA268B, ALA268D, ALA285B, ALA285D, ALA288B, ALA288D, ALA307B, ALA307D, ARG118B, ARG118D, ARG254B, ARG254D, ARG267B, ARG267D, ARG277B, ARG277D, ARG278B, ARG278D, ARG56B, ARG56D, ASN117B, ASN117D, ASN306B, ASN306D, ASP257B, ASP257D, ASP265B, ASP265D, ASP292B, ASP292D, ASP54B, CYS103B, CYS103D, CYS115B, CYS115D, GLN291B, GLN291D, GLU111B, GLU111D, GLU177B, GLU177D, GLU180B, GLU180D, GLU261B, GLU261D, GLU300B, GLU300D, GLY184B, GLY184D, GLY253B, GLY253D, GLY255B, GLY255D, GLY264B, GLY264D, GLY279B, GLY279D, GLY280B, GLY280D, GLY286B, GLY286D, GLY311B, GLY311D, HIS173B, HIS173D, HIS252B, HIS252D, HIS319B, HIS319D, ILE312B, ILE312D, LEU114B, LEU114D, LEU269B, LEU269D, LEU270B, LEU270D, LEU276B, LEU276D, LEU302B, LEU302D, LEU304B, LEU304D, LYS110B, LYS110D, LYS185B, LYS185D, LYS297B, LYS297D, LYS305B, LYS305D, LYS310B, LYS310D, PHE281B, PHE281D, PHE296B, PHE296D, PHE309B, PHE309D, PRO112B, PRO112D, PRO116B, PRO116D, PRO179B, PRO179D, PRO290B, PRO290D, PRO293B, PRO293D, PRO295B, PRO295D, PRO55B, PRO55D, SER109B, SER109D, SER266B, SER266D, SER283B, SER283D, SER315B, SER315D, THR170B, THR170D, THR186B, THR186D, THR251B, THR251D, THR308B, THR308D, TRP105B, TRP105D, TRP301B, TRP301D, TRP313B, TRP313D, TYR104B, TYR104D, TYR113B, TYR113D, TYR178B, TYR178D, TYR282B, TYR282D, TYR299B, TYR299D, VAL108B, VAL108D, VAL284B, VAL284D, VAL287B, VAL287D, VAL289B, VAL289D, VAL294B, VAL294D, VAL298B, VAL298D, VAL303B, VAL303D, VAL314B, VAL314D
• C-D: ARG79C, ARG79D, ASN117C, ASN117D, ASN82C, ASN82D, ASN95C, ASN95D, ASP148C, ASP148D, ASP176C, ASP176D, ASP316C, ASP316D, ASP80C, ASP80D, CYS100C, CYS100D, CYS103C, CYS103D, CYS106C, CYS106D, GLU102C, GLU102D, GLU111C, GLU111D, GLU146C, GLU146D, GLU177C, GLY101C, GLY101D, GLY83C, GLY83D, GLY97C, GLY97D, HIS173C, HIS173D, HIS319C, HIS319D, ILE98C, ILE98D, LEU114C, LEU114D, LEU150C, LEU150D, LEU81C, LEU81D, LYS107C, LYS107D, LYS110C, LYS110D, LYS322C, LYS322D, LYS78C, LYS78D, PHE320C, PHE320D, PRO112C, PRO112D, PRO116C, PRO145C, PRO145D, SER109C, SER109D, SER315C, SER315D, SER318C, SER318D, THR147C, THR147D, THR317C, THR317D, THR99C, THR99D, TRP105C, TRP105D, TYR104C, TYR104D, TYR113C, TYR113D, VAL108C, VAL108D, VAL149C, VAL149D, VAL321C, VAL321D