1MG0

horse liver alcohol dehydrogenase complexed with nad+ and 2, 3-difluorobenzyl alcohol

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 173
  • Norm. En. per Res.: -3.6787
• Hub Node: A(2)

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	-100.7661	-13.024	-521.982	-635.7721	175	17	12	19909	0	25	20
A-D	-18.0064	-29.0234	-20.2278	-67.2576	33	1	1	1256	2	11	8
B-C	-9.1898	-8.5379	-24.5748	-42.3025	49	1	0	1903	0	23	32
B-D	0.0	-2.4794	-5.5194	-7.9987	15	0	0	264	0	3	7
C-D	-105.174	-12.9968	-518.251	-636.4218	173	18	12	19962	0	24	19

Interface residues

• A-B: ALA285A, ALA285B, ALA317A, ALA317B, ARG101A, ARG101B, ARG218A, ARG218B, ARG271A, ARG271B, ARG312A, ARG312B, ASN109A, ASN109B, ASN114A, ASN114B, ASN259A, ASN259B, ASN300A, ASN300B, ASN304A, ASN304B, ASP263A, ASP263B, ASP297A, ASP297B, CYS100A, CYS100B, CYS103A, CYS103B, CYS111A, CYS111B, CYS281A, CYS281B, CYS282A, CYS282B, GLN283A, GLN283B, GLN299A, GLN299B, GLU107A, GLU107B, GLU256A, GLU256B, GLU267A, GLU267B, GLU284A, GLU284B, GLY108A, GLY108B, GLY260A, GLY260B, GLY261A, GLY261B, GLY270A, GLY270B, GLY287A, GLY287B, GLY293A, GLY293B, GLY311A, GLY311B, GLY316A, GLY316B, GLY320A, GLY321A, GLY321B, HIS105A, HIS105B, HIS51B, ILE291A, ILE291B, ILE318A, ILE318B, LEU112A, LEU112B, LEU116A, LEU116B, LEU254A, LEU272A, LEU272B, LEU279A, LEU279B, LEU301A, LEU301B, LEU307A, LEU307B, LEU308A, LEU308B, LEU309A, LEU309B, LEU57A, LEU57B, LYS104A, LYS104B, LYS188A, LYS315A, LYS315B, LYS323A, LYS323B, MET118A, MET257A, MET257B, MET275A, MET275B, MET303A, MET303B, MET306A, MET306B, PHE110A, PHE110B, PHE264A, PHE264B, PHE319A, PHE319B, PHE93A, PRO106A, PRO106B, PRO119A, PRO119B, PRO295A, PRO295B, PRO296A, PRO296B, PRO305A, PRO305B, SER117A, SER117B, SER182B, SER193A, SER193B, SER258A, SER258B, SER289A, SER289B, SER298A, SER298B, SER302A, SER302B, SER310A, SER310B, SER48A, SER48B, THR178A, THR178B, THR190A, THR190B, THR194A, THR194B, THR255A, THR255B, THR313A, THR313B, TRP314A, TRP314B, TYR286A, TYR286B, VAL102A, VAL102B, VAL186A, VAL186B, VAL262A, VAL262B, VAL268A, VAL268B, VAL276A, VAL276B, VAL288A, VAL288B, VAL290A, VAL290B, VAL292A, VAL292B, VAL294A, VAL294B
• A-D: ALA163D, ALA337D, ASN300A, ASP161D, ASP297A, ASP334D, GLN191D, GLN299A, GLU17A, GLY55A, HIS138A, LEU301A, LEU57A, LEU61A, LYS18A, LYS212D, LYS338D, LYS339D, MET118A, MET336D, PHE335D, PRO119A, PRO136A, PRO60A, PRO62A, SER117A, SER298A, SER302A, SER54A, THR56A, THR59A, VAL52A, VAL58A
• B-C: ALA333C, ARG271B, ARG363B, ARG84C, ASN225B, ASN356B, ASP227B, ASP326C, ASP360B, CYS100C, CYS103C, CYS97C, GLN191C, GLU154C, GLU16B, GLU17B, GLU353B, GLU357B, GLU366B, GLY365B, GLY55B, GLY79C, GLY98C, HIS34C, ILE155C, ILE23B, ILE355B, LYS104C, LYS159C, LYS18B, LYS19B, LYS226B, LYS247B, LYS325C, LYS330C, LYS339C, LYS99C, PHE21B, PRO106C, PRO20B, SER22B, SER364B, SER54B, THR190C, THR81C, THR82C, TRP15B, VAL80C, VAL83C
• B-D: ASN300B, ASN304B, ASP273B, GLN191D, GLU107D, GLY215D, HIS105D, LEU272B, LEU301B, LYS247B, LYS339D, MET303B, PRO106D, SER302B, VAL276B
• C-D: ALA285C, ALA285D, ALA317C, ALA317D, ARG101C, ARG101D, ARG218C, ARG218D, ARG271C, ARG271D, ARG312C, ARG312D, ASN109C, ASN109D, ASN114C, ASN114D, ASN259C, ASN259D, ASN300C, ASN300D, ASN304C, ASN304D, ASP263C, ASP263D, ASP297C, ASP297D, CYS100C, CYS100D, CYS103C, CYS103D, CYS111C, CYS111D, CYS281C, CYS281D, CYS282C, CYS282D, GLN283C, GLN283D, GLN299C, GLN299D, GLU107C, GLU107D, GLU256D, GLU267C, GLU267D, GLU284C, GLU284D, GLY108C, GLY108D, GLY260C, GLY260D, GLY261C, GLY261D, GLY270C, GLY270D, GLY287C, GLY287D, GLY293C, GLY293D, GLY311C, GLY311D, GLY316C, GLY316D, GLY321C, GLY321D, HIS105C, HIS105D, ILE291C, ILE291D, ILE318C, ILE318D, LEU112C, LEU112D, LEU116C, LEU116D, LEU272C, LEU272D, LEU279C, LEU279D, LEU301C, LEU301D, LEU307C, LEU307D, LEU308C, LEU308D, LEU309C, LEU309D, LEU57C, LEU57D, LYS104C, LYS104D, LYS188C, LYS188D, LYS315C, LYS315D, LYS323C, LYS323D, MET118C, MET118D, MET257C, MET257D, MET275C, MET275D, MET303C, MET303D, MET306C, MET306D, PHE110C, PHE110D, PHE264C, PHE264D, PHE319C, PHE319D, PHE93D, PRO106C, PRO106D, PRO119C, PRO119D, PRO295C, PRO295D, PRO296C, PRO296D, PRO305C, PRO305D, SER117C, SER117D, SER182C, SER193C, SER193D, SER258C, SER258D, SER289C, SER289D, SER298C, SER298D, SER302C, SER302D, SER310C, SER310D, SER48C, SER48D, THR178C, THR178D, THR190C, THR190D, THR194C, THR194D, THR255C, THR255D, THR313C, THR313D, TRP314C, TRP314D, TYR286C, TYR286D, VAL102C, VAL102D, VAL186C, VAL186D, VAL262C, VAL262D, VAL268C, VAL268D, VAL276C, VAL276D, VAL288C, VAL288D, VAL290C, VAL290D, VAL292C, VAL292D, VAL294C, VAL294D