3MEQ

crystal structure of alcohol dehydrogenase from brucella melitensis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 154
  • Norm. En. per Res.: -3.9349
• 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	14.0299	-89.1305	-75.1006	64	0	2	4465	2	31	18
A-C	-5.2965	0.7553	-64.6639	-69.205	49	0	0	3407	2	22	28
A-D	-103.5255	-5.2454	-479.742	-588.5129	151	19	21	18602	2	26	22
B-C	-105.2693	-14.5057	-486.196	-605.971	154	19	19	18517	4	26	23
B-D	0.0	0.149	-68.1013	-67.9523	51	1	0	3529	2	22	29
C-D	0.0	20.2946	-89.1807	-68.8861	65	0	2	4198	0	31	19

Interface residues

• A-B: ALA95A, ALA95B, ARG100A, ARG100B, ARG295A, ARG295B, ASN133A, ASN133B, ASP297A, ASP297B, ASP303A, ASP303B, CYS102A, CYS102B, CYS96A, CYS96B, CYS99A, CYS99B, GLN299A, GLN299B, GLU107A, GLU107B, GLU112A, GLU112B, GLU300A, GLU300B, GLY104A, GLY104B, GLY105A, GLY105B, GLY97A, GLY97B, HIS101A, HIS101B, HIS137A, HIS137B, HIS80A, HIS80B, HIS98A, HIS98B, LEU103A, LEU103B, LEU296A, LEU296B, LEU298A, LEU298B, LEU302A, LEU302B, LYS79A, LYS79B, PHE134A, PHE134B, PHE304A, PRO132A, PRO132B, SER301A, SER301B, THR294A, THR294B, TRP106A, TRP106B, TYR158A, VAL135A, VAL135B
• A-C: ALA188A, ALA188C, ALA190A, ALA190C, ARG189A, ARG189C, ASN194A, ASN194C, ASP170A, ASP170C, ASP297A, ASP297C, ASP303A, ASP303C, ASP307A, ASP307C, GLU300A, GLU300C, GLY169A, GLY169C, GLY192A, GLY192C, LEU161A, LEU193A, LEU193C, LEU296A, LEU296C, LYS162A, LYS162C, LYS167A, LYS167C, LYS309A, LYS309C, MET191A, MET191C, PHE304A, PHE304C, PRO168A, PRO168C, THR166A, THR166C, THR214A, THR214C, TRP171C, TYR158A, TYR158C, TYR187A, TYR187C, VAL195C
• A-D: ALA244A, ALA249A, ALA258A, ALA258D, ARG100A, ARG100D, ARG230A, ARG230D, ARG259A, ARG259D, ARG288A, ARG288D, ASN115A, ASN115D, ASN266A, ASN266D, ASN279A, ASN279D, ASN283A, ASN283D, ASP165A, ASP165D, ASP170A, ASP170D, ASP234A, ASP234D, ASP272A, ASP272D, ASP52A, ASP52D, CYS110A, CYS110D, CYS99A, GLN113A, GLN113D, GLN238A, GLN238D, GLU107A, GLU107D, GLU111A, GLU111D, GLU112A, GLU112D, GLU251A, GLU251D, GLY169A, GLY169D, GLY235A, GLY235D, GLY260A, GLY260D, GLY261A, GLY261D, GLY267A, GLY267D, GLY271A, GLY271D, GLY284A, GLY284D, GLY289A, GLY289D, HIS101A, HIS101D, HIS47A, HIS47D, ILE277A, ILE277D, ILE291A, ILE291D, LEU109A, LEU109D, LEU254A, LEU254D, LEU265A, LEU265D, LEU268A, LEU268D, LEU275A, LEU275D, LEU282A, LEU282D, LEU92A, LEU92D, LYS167A, LYS167D, LYS248A, LYS56A, MET280A, MET280D, PHE250A, PHE250D, PHE273A, PHE273D, PHE278A, PHE278D, PRO247A, PRO247D, PRO269A, PRO269D, PRO270A, PRO270D, PRO274A, PRO274D, PRO54A, PRO54D, SER246A, SER246D, SER264A, SER264D, SER276A, SER276D, SER290A, SER290D, THR108A, THR108D, THR156A, THR156D, THR164D, THR262A, THR262D, THR286A, THR286D, THR44A, THR44D, TRP106A, TRP106D, TRP171D, TRP53A, TRP53D, TRP91A, TRP91D, TYR118A, TYR118D, VAL163A, VAL163D, VAL242A, VAL242D, VAL245A, VAL245D, VAL263A, VAL263D, VAL281A, VAL281D, VAL285A, VAL285D, VAL287A, VAL287D, VAL292A, VAL292D, VAL55A, VAL55D
• B-C: ALA237B, ALA258B, ALA258C, ARG100B, ARG100C, ARG230B, ARG230C, ARG259B, ARG259C, ARG288B, ARG288C, ASN115B, ASN115C, ASN194C, ASN266B, ASN266C, ASN279B, ASN279C, ASN283B, ASN283C, ASP165B, ASP165C, ASP170B, ASP170C, ASP234B, ASP234C, ASP272B, ASP272C, ASP52B, ASP52C, CYS110B, CYS110C, GLN113B, GLN113C, GLN238B, GLN238C, GLU107B, GLU107C, GLU111B, GLU111C, GLU112B, GLU112C, GLU251B, GLU251C, GLY169C, GLY235B, GLY235C, GLY236B, GLY239B, GLY260B, GLY260C, GLY261B, GLY261C, GLY267B, GLY267C, GLY271B, GLY271C, GLY284B, GLY284C, GLY289B, GLY289C, HIS101B, HIS101C, HIS47B, HIS47C, ILE277B, ILE277C, ILE291B, ILE291C, LEU109B, LEU109C, LEU254B, LEU254C, LEU265B, LEU265C, LEU268B, LEU268C, LEU275B, LEU275C, LEU282B, LEU282C, LEU92B, LEU92C, LYS167B, LYS167C, MET280B, MET280C, PHE250B, PHE250C, PHE273B, PHE273C, PHE278B, PHE278C, PRO247B, PRO247C, PRO269B, PRO269C, PRO270B, PRO270C, PRO274B, PRO274C, PRO54B, PRO54C, SER246B, SER246C, SER264B, SER264C, SER276B, SER276C, SER290B, SER290C, THR108B, THR108C, THR156B, THR156C, THR164C, THR166B, THR233B, THR233C, THR262B, THR262C, THR286B, THR286C, THR44B, THR44C, TRP106B, TRP106C, TRP171B, TRP171C, TRP53B, TRP53C, TRP91B, TRP91C, TYR118B, TYR118C, VAL163B, VAL163C, VAL242B, VAL242C, VAL245B, VAL245C, VAL257B, VAL263B, VAL263C, VAL281B, VAL281C, VAL285B, VAL285C, VAL287B, VAL287C, VAL292B, VAL292C, VAL55B, VAL55C
• B-D: ALA188B, ALA188D, ALA190B, ALA190D, ARG189B, ARG189D, ASN194B, ASN194D, ASP170B, ASP170D, ASP297B, ASP297D, ASP303B, ASP303D, ASP307B, ASP307D, GLU300B, GLU300D, GLY169B, GLY169D, GLY192B, GLY192D, LEU161B, LEU161D, LEU193B, LEU193D, LEU296B, LEU296D, LYS162B, LYS162D, LYS167B, LYS167D, LYS309B, LYS309D, MET191B, MET191D, PHE304B, PHE304D, PRO168B, PRO168D, THR166B, THR166D, THR214B, THR214D, TRP171B, TRP171D, TYR158B, TYR158D, TYR187B, TYR187D, VAL195D
• C-D: ALA95C, ALA95D, ARG100C, ARG100D, ARG295C, ARG295D, ASN133C, ASN133D, ASP297C, ASP297D, ASP303C, CYS102C, CYS102D, CYS96C, CYS96D, CYS99C, CYS99D, GLN299C, GLN299D, GLU107C, GLU107D, GLU112C, GLU112D, GLU300C, GLU300D, GLY104C, GLY104D, GLY105C, GLY105D, GLY77C, GLY77D, GLY97C, GLY97D, HIS101C, HIS101D, HIS137C, HIS137D, HIS80C, HIS80D, HIS98C, HIS98D, LEU103C, LEU103D, LEU296C, LEU296D, LEU298C, LEU298D, LEU302C, LYS79C, LYS79D, PHE134C, PHE134D, PRO132C, PRO132D, PRO29C, PRO29D, SER301C, THR294C, THR294D, TRP106C, TRP106D, VAL135C, VAL135D, VAL81C, VAL81D