1O7D

the structure of the bovine lysosomal a-mannosidase suggests a novel mechanism for low ph activation

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 142
  • Norm. En. per Res.: -4.3888
• Hub Node: A(4)

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	-180.7956	-27.7101	-133.281	-341.7867	200	65	24	30487	1	43	46
A-C	-36.7217	-3.3506	-271.034	-311.1064	86	19	8	11150	2	30	26
A-D	-42.845	-27.3103	-229.053	-299.2083	93	15	1	8255	1	27	25
A-E	-33.2467	-17.4714	-254.225	-304.943	117	20	4	10811	0	10	16
B-C	-27.8086	9.5293	284.44	266.1607	99	13	14	12807	0	9	17
B-D	-67.2593	-88.8136	-467.142	-623.2149	142	28	10	18333	6	32	40
B-E	-24.6191	-11.148	-199.64	-235.4072	67	12	4	7239	0	3	1
C-D	-143.6391	-79.6479	-400.349	-623.636	161	27	23	17141	6	24	24
C-E	-36.2386	-3.0177	-199.957	-239.2133	72	14	6	7945	0	7	12
D-E	-35.0291	-70.2067	-142.466	-247.7017	58	28	1	5873	4	25	25

Interface residues

• A-B: ALA151A, ALA161A, ALA167A, ALA192A, ALA205A, ALA241A, ALA250A, ALA300A, ALA341A, ALA357B, ALA366B, ALA381B, ARG114A, ARG115A, ARG147A, ARG188A, ARG190A, ARG202A, ARG220A, ARG229A, ARG240A, ARG308A, ARG348B, ARG395B, ARG403B, ASN111A, ASN331A, ASN340A, ASN350B, ASN364B, ASN367B, ASN407B, ASN413B, ASN64A, ASP159A, ASP170A, ASP196A, ASP214A, ASP222A, ASP225A, ASP251A, ASP302A, ASP333A, ASP375B, ASP376B, ASP382B, ASP61A, CYS358B, CYS55A, GLN171A, GLN204A, GLN224A, GLN234A, GLN237A, GLN303A, GLN337A, GLN410B, GLU149A, GLU160A, GLU203A, GLU236A, GLU362B, GLU402B, GLY146A, GLY166A, GLY199A, GLY215A, GLY219A, GLY304A, GLY383B, GLY390B, GLY51A, HIS164A, HIS200A, HIS311A, HIS66A, HIS70A, ILE117A, ILE168A, ILE169A, ILE195A, ILE336A, ILE347B, LEU108A, LEU148A, LEU174A, LEU221A, LEU233A, LEU252A, LEU257A, LEU267A, LEU297A, LEU299A, LEU332A, LEU335A, LEU338A, LEU352B, LEU360B, LEU363B, LEU368B, LEU409B, LEU63A, LEU67A, LYS226A, LYS298A, LYS305A, LYS310A, LYS330A, LYS334A, LYS365B, LYS373B, LYS374B, LYS399B, LYS53A, LYS57A, LYS59A, MET235A, MET260A, MET314A, MET316A, MET386B, MET62A, PHE116A, PHE150A, PHE198A, PHE213A, PHE216A, PHE217A, PHE218A, PHE253A, PHE296A, PHE329A, PHE377B, PHE378B, PHE387B, PHE392B, PRO112A, PRO189A, PRO197A, PRO247A, PRO258A, PRO356B, PRO379B, PRO384B, PRO56A, PRO60A, PRO69A, SER107A, SER201A, SER242A, SER255A, SER354B, SER369B, SER371B, SER393B, SER394B, THR113A, THR162A, THR163A, THR243A, THR254A, THR301A, THR309A, THR312A, THR315A, THR355B, THR389B, THR54A, TRP193A, TRP239A, TRP328A, TRP361B, TRP370B, TRP388B, TRP77A, TYR118A, TYR165A, TYR223A, TYR307A, TYR322A, TYR353B, TYR359B, TYR380B, TYR385B, TYR391B, TYR406B, TYR52A, VAL119A, VAL191A, VAL238A, VAL256A, VAL293A, VAL313A, VAL339A, VAL349B, VAL351B, VAL372B, VAL58A, VAL65A, VAL68A
• A-C: ALA122A, ALA161A, ALA167A, ALA434C, ALA439C, ALA441C, ALA448C, ALA458C, ARG126A, ARG129A, ARG177A, ARG220A, ARG454C, ARG463C, ASN158A, ASN437C, ASN459C, ASN91A, ASP159A, ASP170A, ASP196A, ASP319A, ASP447C, ASP460C, ASP73A, ASP74A, ASP82A, GLN171A, GLN444C, GLN455C, GLN464C, GLN83A, GLN93A, GLU120A, GLU160A, GLU438C, GLY154A, GLY166A, GLY175A, GLY451C, GLY76A, HIS164A, HIS194A, HIS445C, HIS446C, HIS456C, HIS72A, ILE121A, ILE168A, ILE169A, ILE195A, ILE92A, LEU174A, LEU436C, LEU443C, LEU78A, LYS79A, MET157A, MET172A, MET440C, PHE123A, PHE198A, PHE320A, PRO197A, SER125A, SER450C, SER453C, THR162A, THR163A, THR173A, THR452C, THR80A, TRP155A, TRP77A, TYR165A, TYR261A, TYR461C, TYR84A, TYR89A, VAL119A, VAL156A, VAL442C, VAL449C, VAL457C, VAL75A, VAL81A
• A-D: ALA161A, ALA167A, ALA205A, ALA241A, ALA250A, ALA659D, ALA860D, ARG202A, ARG220A, ARG229A, ARG750D, ARG755D, ARG760D, ARG781D, ARG797D, ARG823D, ARG857D, ASN158A, ASN748D, ASN766D, ASN779D, ASP159A, ASP196A, ASP222A, ASP225A, ASP746D, ASP820D, GLN204A, GLN210A, GLN224A, GLN234A, GLN237A, GLN767D, GLN799D, GLU160A, GLU203A, GLU751D, GLU754D, GLU769D, GLU827D, GLU861D, GLY166A, GLY199A, GLY749D, GLY773D, GLY800D, GLY824D, GLY826D, HIS164A, HIS194A, HIS200A, ILE168A, ILE169A, ILE661D, ILE752D, ILE92A, LEU207A, LEU221A, LEU245A, LEU753D, LEU765D, LEU78A, LEU865D, LYS226A, LYS227A, LYS764D, PHE198A, PRO777D, SER201A, SER206A, SER242A, SER244A, SER747D, SER780D, SER798D, THR162A, THR163A, THR232A, THR243A, THR745D, THR762D, THR768D, TRP239A, TRP763D, TRP77A, TYR165A, TYR223A, TYR660D, TYR776D, VAL228A, VAL778D, VAL825D, VAL864D
• A-E: ALA167A, ALA205A, ALA209A, ALA241A, ALA250A, ALA906E, ALA922E, ALA957E, ALA958E, ALA965E, ARG177A, ARG188A, ARG190A, ARG202A, ARG240A, ARG308A, ARG901E, ARG907E, ARG916E, ARG952E, ARG967E, ARG998E, ASN152A, ASN959E, ASP170A, ASP214A, ASP251A, ASP973E, GLN171A, GLN204A, GLN210A, GLN234A, GLN237A, GLN920E, GLN960E, GLN969E, GLN993E, GLU180A, GLU181A, GLU203A, GLU236A, GLU918E, GLU925E, GLU996E, GLY153A, GLY154A, GLY166A, GLY175A, GLY184A, GLY187A, GLY212A, GLY215A, GLY909E, GLY924E, HIS164A, HIS919E, ILE168A, ILE169A, ILE997E, LEU1001E, LEU174A, LEU176A, LEU179A, LEU207A, LEU245A, LEU252A, LEU902E, LEU903E, LEU914E, LEU956E, LEU961E, LEU962E, LEU968E, LEU992E, LYS246A, MET172A, MET211A, MET995E, PHE178A, PHE208A, PHE213A, PHE216A, PHE217A, PHE253A, PHE921E, PRO189A, PRO247A, PRO248A, PRO910E, PRO994E, SER185A, SER206A, SER242A, SER244A, SER932E, SER966E, THR173A, THR243A, THR249A, THR254A, THR309A, THR904E, THR912E, THR954E, THR955E, THR971E, THR972E, THR999E, TRP239A, TRP908E, TRP970E, TYR165A, TYR52A, TYR964E, VAL191A, VAL238A, VAL923E
• B-C: ALA397B, ALA417B, ALA419B, ALA434C, ALA439C, ALA441C, ALA448C, ALA458C, ALA462C, ALA479C, ALA481C, ALA572C, ARG395B, ARG400B, ARG403B, ARG454C, ARG463C, ARG470C, ARG494C, ASN407B, ASN413B, ASN437C, ASN459C, ASN478C, ASN497C, ASN516C, ASP432C, ASP447C, CYS412B, CYS472C, GLN410B, GLN414B, GLN444C, GLN455C, GLN464C, GLU402B, GLU416B, GLU438C, GLU467C, GLU473C, GLY390B, GLY420B, GLY431C, GLY451C, GLY468C, GLY519C, GLY574C, HIS445C, HIS446C, HIS456C, HIS482C, ILE513C, LEU398B, LEU404B, LEU409B, LEU415B, LEU418B, LEU436C, LEU443C, LEU465C, LEU475C, LEU480C, LEU483C, LEU496C, LEU518C, LYS399B, MET440C, MET476C, PHE392B, PHE408B, PHE492C, PHE575C, PRO396B, PRO421B, PRO435C, PRO471C, PRO517C, SER393B, SER394B, SER405B, SER433C, SER450C, SER453C, SER466C, SER477C, THR452C, TRP388B, TRP469C, TYR391B, TYR401B, TYR406B, TYR461C, TYR515C, VAL411B, VAL442C, VAL449C, VAL457C, VAL474C, VAL573C
• B-D: ALA381B, ALA397B, ALA656D, ALA659D, ALA772D, ALA822D, ALA860D, ALA866D, ARG395B, ARG400B, ARG403B, ARG663D, ARG755D, ARG756D, ARG760D, ARG781D, ARG797D, ARG815D, ARG816D, ARG823D, ARG839D, ARG841D, ASN407B, ASN650D, ASN748D, ASN758D, ASN766D, ASN774D, ASN779D, ASN830D, ASP375B, ASP376B, ASP382B, ASP746D, ASP796D, ASP821D, CYS412B, GLN410B, GLN414B, GLN655D, GLN767D, GLN799D, GLN868D, GLU402B, GLU728D, GLU754D, GLU769D, GLU827D, GLU832D, GLU861D, GLU863D, GLY383B, GLY390B, GLY649D, GLY658D, GLY749D, GLY773D, GLY800D, GLY801D, GLY824D, GLY833D, GLY835D, GLY840D, HIS814D, ILE661D, ILE719D, ILE730D, LEU398B, LEU404B, LEU415B, LEU652D, LEU753D, LEU765D, LEU811D, LEU817D, LEU829D, LEU836D, LEU865D, LYS373B, LYS374B, LYS399B, LYS831D, MET386B, MET812D, MET862D, PHE377B, PHE378B, PHE387B, PHE392B, PHE408B, PHE662D, PHE743D, PRO379B, PRO384B, PRO396B, PRO664D, PRO761D, PRO770D, PRO777D, PRO828D, PRO867D, SER393B, SER394B, SER647D, SER653D, SER654D, SER657D, SER747D, SER780D, SER798D, SER802D, SER834D, THR389B, THR745D, THR762D, THR768D, THR795D, TRP388B, TRP714D, TRP763D, TRP837D, TYR380B, TYR385B, TYR391B, TYR401B, TYR406B, TYR660D, TYR759D, TYR775D, TYR776D, VAL372B, VAL411B, VAL716D, VAL729D, VAL771D, VAL778D, VAL813D, VAL825D, VAL838D, VAL864D, VAL869D, VAL870D
• B-E: ALA357B, ALA366B, ALA417B, ALA419B, ALA906E, ALA945E, ARG901E, ARG907E, ARG916E, ARG967E, ASN364B, ASN367B, ASN413B, ASP973E, CYS358B, CYS412B, GLN1005E, GLN410B, GLN414B, GLN969E, GLU362B, GLU416B, GLU911E, GLU918E, GLY420B, GLY891E, GLY909E, LEU360B, LEU363B, LEU368B, LEU409B, LEU415B, LEU418B, LEU892E, LEU896E, LEU902E, LEU903E, LEU905E, LEU913E, LEU914E, LEU915E, LEU968E, LYS365B, LYS373B, PHE889E, PHE943E, PHE946E, PRO421B, PRO910E, SER369B, SER371B, SER890E, SER944E, THR904E, THR912E, THR971E, THR972E, TRP1006E, TRP361B, TRP370B, TRP908E, TRP970E, TYR359B, TYR406B, VAL1004E, VAL372B, VAL411B
• C-D: ALA458C, ALA491C, ALA507C, ALA568C, ALA659D, ALA683D, ALA860D, ALA866D, ALA872D, ARG454C, ARG494C, ARG509C, ARG520C, ARG527C, ARG702D, ARG706D, ARG797D, ARG815D, ARG823D, ARG839D, ARG841D, ARG857D, ASN459C, ASN497C, ASN516C, ASN692D, ASN830D, ASP447C, ASP489C, ASP523C, ASP548C, ASP556C, ASP820D, ASP821D, CYS493C, CYS501C, GLN455C, GLN505C, GLN511C, GLN687D, GLN691D, GLN707D, GLN859D, GLN868D, GLN873D, GLU473C, GLU488C, GLU508C, GLU563C, GLU688D, GLU711D, GLU713D, GLU827D, GLU832D, GLU861D, GLU863D, GLY451C, GLY519C, GLY574C, GLY658D, GLY824D, GLY826D, GLY833D, GLY835D, GLY840D, GLY874D, HIS446C, HIS456C, HIS679D, HIS690D, HIS709D, ILE498C, ILE500C, ILE513C, ILE552C, ILE577C, ILE661D, LEU480C, LEU486C, LEU496C, LEU503C, LEU518C, LEU528C, LEU564C, LEU565C, LEU569C, LEU680D, LEU685D, LEU703D, LEU829D, LEU858D, LEU865D, LEU871D, LYS487C, LYS495C, LYS521C, LYS682D, LYS831D, MET476C, MET525C, MET862D, PHE490C, PHE492C, PHE510C, PHE566C, PHE575C, PRO502C, PRO517C, PRO529C, PRO546C, PRO553C, PRO705D, PRO828D, PRO867D, SER450C, SER453C, SER477C, SER499C, SER547C, SER554C, SER555C, SER567C, SER576C, SER579C, SER581C, SER684D, SER798D, SER834D, THR452C, THR504C, THR506C, THR551C, THR715D, TRP469C, TRP524C, TRP837D, TYR515C, TYR578C, TYR660D, TYR704D, VAL449C, VAL457C, VAL512C, VAL514C, VAL522C, VAL526C, VAL537C, VAL545C, VAL549C, VAL550C, VAL570C, VAL580C, VAL681D, VAL686D, VAL689D, VAL700D, VAL825D, VAL838D, VAL864D, VAL869D, VAL870D
• C-E: ALA481C, ALA572C, ALA906E, ALA945E, ARG520C, ARG886E, ARG893E, ARG894E, ARG901E, ARG907E, ASN437C, ASN516C, ASP539C, GLN511C, GLN888E, GLN920E, GLU488C, GLU895E, GLY485C, GLY519C, GLY541C, GLY542C, GLY574C, GLY891E, HIS482C, ILE513C, ILE577C, LEU475C, LEU480C, LEU483C, LEU486C, LEU518C, LEU569C, LEU892E, LEU896E, LEU902E, LEU903E, LEU905E, LEU917E, LEU942E, LYS487C, LYS521C, LYS538C, PHE575C, PHE889E, PHE921E, PHE943E, PHE946E, PRO517C, PRO540C, PRO571C, PRO885E, PRO897E, PRO898E, SER433C, SER484C, SER576C, SER579C, SER890E, SER899E, SER944E, THR887E, TRP1006E, TRP908E, TYR515C, TYR578C, VAL512C, VAL514C, VAL522C, VAL570C, VAL573C, VAL900E
• D-E: ALA852D, ALA853D, ALA854D, ALA860D, ALA922E, ARG750D, ARG781D, ARG855D, ARG857D, ARG901E, ARG929E, ASP847D, ASP926E, GLN790D, GLN859D, GLN920E, GLN993E, GLU751D, GLU850D, GLU861D, GLU863D, GLU918E, GLU925E, GLU996E, GLY749D, GLY924E, GLY928E, HIS856D, HIS919E, ILE752D, ILE997E, LEU858D, LEU865D, LEU896E, LEU902E, LEU903E, LEU917E, LEU931E, LEU956E, LEU992E, LYS848D, LYS849D, MET862D, MET995E, PHE921E, PRO897E, PRO898E, PRO994E, SER747D, SER899E, SER927E, SER932E, THR851D, THR904E, TYR783D, VAL864D, VAL900E, VAL923E