2AD8

crystal structure of methanol dehydrogenase from m. w3a1 (form c) in the presence of ethanol

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 177
  • Norm. En. per Res.: -4.7481
• 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	-140.395	-178.3861	-510.433	-829.2141	177	21	1	19704	14	79	71
A-C	-119.2846	-6.0264	-347.445	-472.756	131	16	2	14071	0	16	18
C-D	-159.1672	-174.5601	-506.689	-840.4164	177	19	1	19606	12	80	70

Interface residues

• A-B: ALA170A, ALA177A, ALA228A, ALA24B, ALA257A, ALA368A, ALA420A, ALA46B, ALA52B, ALA56B, ALA58B, ARG175A, ARG191A, ARG264A, ARG363A, ARG370A, ARG419A, ARG50B, ARG54B, ASN11B, ASN124A, ASN138A, ASN15B, ASN179A, ASN208A, ASN211A, ASN260A, ASN268A, ASN38B, ASN51B, ASN5B, ASN63B, ASP145A, ASP182A, ASP227A, ASP267A, ASP294A, ASP29B, ASP2B, ASP33B, ASP355A, ASP364A, ASP372A, ASP48B, ASP67B, CYS12B, CYS144A, CYS167A, CYS6B, GLN216A, GLN289A, GLN40B, GLN422A, GLN4B, GLU140A, GLU142A, GLU14B, GLU187A, GLU21B, GLU225A, GLU261A, GLU295A, GLU36B, GLU41B, GLU42B, GLU8B, GLY10B, GLY125A, GLY149A, GLY169A, GLY173A, GLY176A, GLY186A, GLY18B, GLY215A, GLY218A, GLY226A, GLY232A, GLY233A, GLY25B, GLY266A, GLY359A, GLY3B, GLY421A, GLY62B, HIS126A, HIS213A, HIS293A, HIS32B, HIS373A, ILE137A, ILE231A, ILE23B, ILE44B, ILE55B, LEU127A, LEU128A, LEU172A, LEU188A, LEU219A, LEU356A, LEU37B, LEU416A, LYS136A, LYS147A, LYS16B, LYS184A, LYS222A, LYS22B, LYS230A, LYS269A, LYS27B, LYS31B, LYS352A, LYS353A, LYS357A, LYS39B, LYS45B, LYS59B, LYS7B, MET263A, MET371A, MET415A, MET47B, PHE181A, PHE193A, PHE217A, PHE351A, PHE367A, PHE414A, PHE424A, PHE64B, PHE66B, PRO146A, PRO17B, PRO20B, PRO212A, PRO258A, PRO265A, PRO292A, PRO30B, PRO34B, PRO361A, PRO365A, PRO413A, PRO417A, PRO9B, SER150A, SER26B, SER43B, THR185A, THR221A, THR223A, THR235A, THR262A, THR358A, THR360A, THR369A, TRP139A, TRP13B, TRP224A, TRP229A, TRP270A, TRP296A, TYR19B, TYR1B, TYR214A, TYR28B, TYR418A, VAL141A, VAL143A, VAL148A, VAL174A, VAL354A, VAL35B, VAL362A, VAL65B
• A-C: ALA42A, ALA42C, ALA43A, ALA43C, ARG554C, ASN39A, ASN39C, ASN500A, ASN500C, ASN52A, ASN52C, ASN558A, ASN558C, ASN74A, ASN74C, ASN81C, ASP484A, ASP484C, ASP539A, ASP539C, ASP82A, ASP82C, GLN557A, GLN557C, GLN561A, GLN561C, GLN89A, GLN89C, GLU555A, GLU555C, GLY485A, GLY485C, GLY49A, GLY49C, GLY506A, GLY506C, GLY527A, GLY527C, GLY563A, GLY563C, GLY564A, GLY564C, GLY565A, GLY565C, GLY84A, GLY84C, HIS54A, HIS54C, HIS559A, HIS559C, ILE86A, ILE86C, LEU51A, LEU51C, LEU536A, LEU536C, LEU556A, LEU556C, LEU566A, LEU566C, LEU78A, LEU78C, LYS38A, LYS38C, LYS41A, LYS41C, LYS463A, LYS463C, LYS502A, LYS502C, LYS85A, LYS85C, LYS91A, LYS91C, LYS93A, LYS93C, MET503A, MET503C, MET562A, MET562C, MET567A, MET567C, PHE464A, PHE464C, PHE46A, PHE46C, PHE501A, PHE501C, PHE569A, PHE569C, PRO504A, PRO504C, PRO72A, PRO72C, PRO83A, PRO83C, SER45A, SER45C, SER47A, SER47C, SER505A, SER505C, SER69A, SER69C, THR48A, THR48C, THR541A, THR560A, THR560C, TRP44A, TRP44C, TRP499A, TRP499C, TRP88A, TRP88C, TYR486A, TYR486C, TYR526A, TYR526C, TYR76A, TYR76C, VAL40A, VAL40C, VAL50A, VAL50C, VAL528A, VAL528C, VAL568A, VAL568C, VAL87A, VAL87C
• C-D: ALA170C, ALA177C, ALA228C, ALA24D, ALA257C, ALA368C, ALA420C, ALA46D, ALA52D, ALA56D, ALA58D, ARG175C, ARG191C, ARG264C, ARG363C, ARG370C, ARG419C, ARG50D, ARG54D, ASN11D, ASN124C, ASN138C, ASN15D, ASN179C, ASN208C, ASN211C, ASN260C, ASN268C, ASN38D, ASN51D, ASN5D, ASN63D, ASP145C, ASP182C, ASP227C, ASP267C, ASP294C, ASP29D, ASP2D, ASP33D, ASP355C, ASP364C, ASP372C, ASP48D, ASP67D, CYS12D, CYS144C, CYS167C, CYS6D, GLN216C, GLN289C, GLN40D, GLN422C, GLN4D, GLU140C, GLU142C, GLU14D, GLU187C, GLU21D, GLU225C, GLU261C, GLU295C, GLU36D, GLU41D, GLU42D, GLU8D, GLY10D, GLY125C, GLY149C, GLY169C, GLY173C, GLY176C, GLY186C, GLY18D, GLY215C, GLY218C, GLY226C, GLY232C, GLY233C, GLY25D, GLY266C, GLY359C, GLY3D, GLY421C, GLY62D, HIS126C, HIS213C, HIS293C, HIS32D, HIS373C, ILE137C, ILE231C, ILE23D, ILE44D, ILE55D, LEU127C, LEU128C, LEU172C, LEU188C, LEU219C, LEU356C, LEU37D, LEU416C, LYS136C, LYS147C, LYS16D, LYS184C, LYS222C, LYS22D, LYS230C, LYS269C, LYS27D, LYS31D, LYS352C, LYS353C, LYS357C, LYS39D, LYS45D, LYS59D, LYS7D, MET263C, MET371C, MET415C, MET47D, PHE181C, PHE193C, PHE217C, PHE351C, PHE367C, PHE414C, PHE424C, PHE64D, PHE66D, PRO146C, PRO17D, PRO20D, PRO212C, PRO258C, PRO265C, PRO292C, PRO30D, PRO34D, PRO361C, PRO365C, PRO413C, PRO417C, PRO9D, SER150C, SER26D, SER43D, THR185C, THR221C, THR223C, THR235C, THR262C, THR358C, THR360C, THR369C, TRP139C, TRP13D, TRP224C, TRP229C, TRP270C, TRP296C, TYR19D, TYR1D, TYR214C, TYR28D, TYR418C, VAL141C, VAL143C, VAL148C, VAL174C, VAL354C, VAL35D, VAL362C, VAL65D