3PUZ

crystal structure of a pre-translocation state mbp-maltose transporter complex bound to amp-pnp

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: G-A
  • Int. Res.: 76
  • Norm. En. per Res.: -3.4407
• Hub Node: E(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
E-F	-33.7482	-73.9245	-298.841	-406.5138	202	18	1	13776	4	45	39
E-G	-14.3237	-3.6776	-185.087	-203.0883	117	10	3	8016	1	21	17
F-G	0.0	17.7102	-813.202	-795.4918	349	12	47	38280	1	9	16
F-B	-23.201	-44.5041	-191.798	-259.5031	78	5	8	7704	4	14	17
G-A	-27.2054	-45.3871	-188.9	-261.4925	76	5	9	7907	4	18	10
G-B	-11.6505	0.0	-74.1018	-85.7523	27	3	0	2938	0	3	0
A-B	-39.5754	-37.8225	-314.141	-391.5389	177	16	6	15321	8	75	60

Interface residues

• E-F: ALA116F, ALA206E, ALA213E, ALA216E, ALA268E, ALA269E, ALA276E, ALA338E, ALA342E, ALA346E, ALA350E, ALA351E, ALA360E, ALA360F, ALA461F, ALA475F, ALA51E, ALA52E, ALA71E, ALA77E, ALA84E, ARG104F, ARG112F, ARG174F, ARG180F, ARG202F, ARG266F, ARG344E, ARG354E, ARG367E, ARG454F, ARG473F, ARG66E, ASN100E, ASN121F, ASN172F, ASN205E, ASN221F, ASN272E, ASN282E, ASN341F, ASN348F, ASN349E, ASN449F, ASP111F, ASP207E, ASP209E, ASP30E, ASP363E, ASP364F, ASP453F, ASP55E, ASP82E, CYS337E, GLN115F, GLN152E, GLN178F, GLN181F, GLN203F, GLN223F, GLN342F, GLN355E, GLN445F, GLN482F, GLN49E, GLN72E, GLN86E, GLN99F, GLU139F, GLU221E, GLU249F, GLU274E, GLU278E, GLU281E, GLU28E, GLU359E, GLU3E, GLU44E, GLU45E, GLU477F, GLU4E, GLU78E, GLY101E, GLY138F, GLY206F, GLY254F, GLY32E, GLY338F, GLY345F, GLY353E, GLY450F, GLY451F, GLY456F, GLY462F, GLY478F, GLY479F, GLY480F, GLY481F, GLY54E, GLY5E, GLY74E, ILE104E, ILE176F, ILE199E, ILE212E, ILE33E, ILE348E, ILE79E, LEU100F, LEU109F, LEU151E, LEU173F, LEU183F, LEU201F, LEU210F, LEU251F, LEU275E, LEU446F, LEU455F, LEU75E, LEU76E, LEU7E, LYS102E, LYS118F, LYS1E, LYS250F, LYS26E, LYS273E, LYS277E, LYS29E, LYS337F, LYS34E, LYS358F, LYS370E, LYS42E, LYS6E, LYS83E, LYS88E, MET148E, MET197F, MET198F, MET204E, PHE122F, PHE204F, PHE236F, PHE279E, PHE27E, PHE340F, PHE344F, PHE362F, PHE476F, PHE484F, PHE85E, PRO253F, PRO271E, PRO365F, PRO452F, PRO460F, PRO48E, PRO81E, SER113F, SER184F, SER199F, SER200F, SER205F, SER224F, SER252F, SER270E, SER343F, SER352E, SER363F, SER73E, SER95F, SER96F, THR119F, THR177F, THR207F, THR208E, THR286E, THR31E, THR345E, THR356E, THR457F, THR458F, THR459F, THR53E, THR80E, THR97F, TRP114F, TYR106E, TYR120F, TYR211F, TYR283E, TYR341E, TYR463F, TYR472F, TYR70E, TYR94F, TYR99E, VAL108F, VAL175F, VAL50E
• E-G: ALA213E, ALA215E, ALA216E, ALA21E, ALA231E, ALA45G, ALA52E, ALA70G, ARG238G, ARG344E, ARG40G, ARG73G, ASN12E, ASN150E, ASN157G, ASN18E, ASN218E, ASN227E, ASN234E, ASN241G, ASN254G, ASN257G, ASN43G, ASP145G, ASP14E, ASP209E, ASP236E, ASP239G, ASP296E, ASP41E, ASP55E, ASP71G, GLN152E, GLN250G, GLN251G, GLN256G, GLN41G, GLN49E, GLN69G, GLU153E, GLU214E, GLU221E, GLU22E, GLU38E, GLU3E, GLU44E, GLU52G, GLY13E, GLY16E, GLY228E, GLY248G, GLY42G, GLY47G, GLY54E, GLY56E, GLY72G, HIS39E, ILE11E, ILE212E, ILE235E, ILE2E, ILE74G, LEU113E, LEU156G, LEU235G, LEU237G, LEU253G, LEU259G, LEU43E, LYS15E, LYS1E, LYS219E, LYS239E, LYS25E, LYS295E, LYS297E, LYS42E, LYS46E, LYS6E, PHE156E, PHE217E, PHE44G, PHE79G, PRO255G, PRO40E, PRO57E, PRO76G, PRO77G, PRO78G, PRO80G, SER211E, SER233E, SER234G, SER238E, SER48G, THR237E, THR36E, THR46G, THR53E, THR75G, TRP10E, TRP230E, TRP260G, TRP62E, TRP84G, TYR141G, TYR155E, TYR17E, TYR210E, TYR243G, TYR252G, TYR258G, VAL240G, VAL247G, VAL37E, VAL50E, VAL8E
• F-G: ALA101G, ALA107G, ALA109G, ALA111G, ALA11G, ALA133G, ALA139G, ALA142G, ALA165G, ALA171G, ALA202G, ALA225G, ALA226G, ALA246G, ALA25G, ALA264G, ALA266G, ALA267G, ALA26G, ALA271G, ALA2G, ALA310F, ALA315F, ALA326F, ALA36F, ALA36G, ALA394F, ALA404F, ALA408F, ALA432F, ALA435F, ALA43F, ALA45G, ALA475F, ALA487F, ALA488F, ALA491F, ALA500F, ALA502F, ALA62F, ALA64F, ALA73F, ALA88F, ARG104F, ARG112G, ARG114G, ARG12G, ARG146G, ARG204G, ARG312F, ARG318F, ARG40G, ARG473F, ARG60F, ARG66F, ASN341F, ASN413F, ASN439F, ASN440F, ASN469F, ASP145G, ASP397F, ASP483F, CYS106G, CYS85F, GLN129G, GLN201G, GLN250G, GLN251G, GLN282G, GLN37F, GLN412F, GLN445F, GLN5G, GLN99F, GLN9G, GLU103F, GLU149G, GLU229G, GLU309F, GLU346F, GLU39F, GLU401F, GLY117G, GLY124G, GLY148G, GLY155G, GLY160G, GLY161G, GLY168G, GLY169G, GLY248G, GLY299F, GLY313F, GLY338F, GLY345F, GLY38F, GLY390F, GLY407F, GLY409F, GLY47G, GLY485F, GLY499F, GLY71F, GLY74F, GLY76F, GLY98G, HIS173G, HIS17G, ILE127G, ILE151G, ILE154G, ILE15G, ILE163G, ILE170G, ILE214G, ILE220G, ILE224G, ILE227G, ILE24G, ILE274G, ILE276G, ILE27G, ILE322F, ILE331F, ILE333F, ILE335F, ILE347F, ILE37G, ILE386F, ILE431F, ILE474F, ILE490F, ILE494F, ILE503F, ILE87F, ILE89F, ILE99G, LEU100F, LEU102G, LEU121G, LEU122G, LEU126G, LEU135G, LEU137G, LEU13G, LEU140G, LEU143G, LEU147G, LEU156G, LEU167G, LEU172G, LEU18G, LEU19G, LEU20G, LEU21G, LEU221G, LEU22G, LEU235G, LEU236G, LEU245G, LEU253G, LEU26F, LEU272G, LEU279G, LEU302F, LEU305F, LEU30F, LEU311F, LEU31G, LEU320F, LEU321F, LEU323F, LEU32G, LEU334F, LEU339F, LEU33F, LEU379F, LEU387F, LEU391F, LEU41F, LEU426F, LEU429F, LEU446F, LEU466F, LEU467F, LEU493F, LEU496F, LEU49G, LEU501F, LEU77F, LEU80F, LEU83F, LEU85G, LYS10G, LYS118G, LYS123G, LYS314F, LYS337F, LYS424F, LYS7G, MET113G, MET125G, MET130G, MET249G, MET269G, MET28G, MET33G, MET349F, MET34F, MET350F, MET385F, MET3G, MET405F, MET430F, MET72F, MET75F, PHE110G, PHE115G, PHE128G, PHE131G, PHE144G, PHE14G, PHE164G, PHE203G, PHE223G, PHE23G, PHE263G, PHE278G, PHE29G, PHE330F, PHE336F, PHE340F, PHE344F, PHE411F, PHE42F, PHE434F, PHE436F, PHE438F, PHE441F, PHE476F, PHE484F, PHE495F, PHE57F, PHE78F, PHE81F, PRO116G, PRO132G, PRO152G, PRO199G, PRO231G, PRO255G, PRO273G, PRO30G, PRO324F, PRO328F, PRO382F, PRO410F, PRO425F, PRO428F, PRO6G, PRO70F, PRO82F, SER103G, SER136G, SER222G, SER234G, SER270G, SER329F, SER332F, SER403F, SER433F, SER48G, SER88G, SER95F, THR101F, THR104G, THR105G, THR120G, THR16G, THR176G, THR183G, THR198G, THR228G, THR244G, THR256F, THR275G, THR377F, THR427F, THR45F, THR46F, THR46G, THR471F, THR492F, THR86F, THR92F, TRP175G, TRP200G, TRP260G, TRP308F, TRP378F, TRP65F, TRP84G, TYR108G, TYR141G, TYR150G, TYR166G, TYR252G, TYR258G, TYR29F, TYR317F, TYR325F, TYR35F, TYR381F, TYR383F, TYR400F, TYR40F, TYR470F, TYR472F, TYR63F, TYR67F, TYR69F, TYR94F, VAL134G, VAL138G, VAL174G, VAL217G, VAL230G, VAL232G, VAL247G, VAL268G, VAL277G, VAL298F, VAL301F, VAL306F, VAL316F, VAL319F, VAL327F, VAL32F, VAL34G, VAL35G, VAL375F, VAL442F, VAL468F, VAL498F, VAL4G, VAL68F, VAL79F, VAL84F
• F-B: ALA103B, ALA105B, ALA150B, ALA394F, ALA402F, ALA404F, ALA408F, ALA50B, ALA73B, ALA85B, ARG146B, ARG47B, ARG75B, ASN413F, ASN95B, ASP158B, ASP397F, ASP398F, ASP406F, GLN412F, GLN82B, GLU309F, GLU401F, GLU53B, GLU74B, GLU94B, GLY407F, GLY409F, GLY51B, GLY76B, GLY78B, GLY99B, HIS89B, ILE395F, ILE417F, ILE423F, ILE49B, LEU100B, LEU102B, LEU156B, LEU399F, LEU421F, LEU422F, LEU46B, LEU52B, LEU86B, LEU90B, LYS101B, LYS130B, LYS132B, LYS416F, LYS424F, MET405F, MET79B, MET96B, PHE155B, PHE415F, PHE81B, PHE98B, PRO131B, PRO152B, PRO396F, PRO420F, PRO71B, PRO72B, PRO88B, SER403F, SER83B, SER97B, THR147B, THR418F, TRP13B, TYR400F, TYR84B, TYR87B, VAL154B, VAL77B, VAL80B
• G-A: ALA103A, ALA150A, ALA191G, ALA192G, ALA193G, ALA197G, ALA202G, ALA50A, ALA73A, ALA85A, ARG114G, ARG146A, ARG204G, ARG47A, ARG75A, ASN95A, ASP185G, ASP195G, GLN201G, GLN82A, GLU189G, GLU190G, GLU53A, GLU74A, GLU94A, GLY104A, GLY196G, GLY51A, GLY76A, GLY78A, GLY99A, HIS89A, ILE184G, ILE49A, LEU100A, LEU102A, LEU156A, LEU188G, LEU194G, LEU205G, LEU207G, LEU208G, LEU210G, LEU46A, LEU52A, LEU86A, LEU90A, LYS101A, LYS11A, LYS130A, LYS132A, MET79A, MET96A, PHE81A, PHE98A, PRO131A, PRO152A, PRO209G, PRO71A, PRO72A, PRO88A, SER186G, SER187G, SER211G, SER83A, SER97A, THR147A, THR198G, THR54A, TRP13A, TYR84A, TYR87A, VAL206G, VAL212G, VAL77A, VAL80A
• G-B: ALA2G, ALA50B, ALA73B, ARG47B, ARG75B, ASN68B, ASP69B, GLN5G, GLU53B, GLU74B, GLY51B, ILE55B, LEU52B, LEU60B, LYS11B, LYS7G, MET3G, MET48B, MET67B, PRO6G, PRO71B, PRO72B, SER8G, THR54B, THR70B, TRP13B, VAL4G
• A-B: ALA166A, ALA166B, ALA167A, ALA167B, ALA197A, ALA197B, ALA201A, ALA201B, ARG169A, ARG169B, ARG173A, ARG173B, ARG178A, ARG178B, ARG182A, ARG286A, ARG286B, ARG324A, ARG324B, ARG330A, ARG330B, ARG351A, ARG351B, ASN163A, ASN163B, ASN312A, ASN312B, ASN326A, ASN326B, ASN332A, ASN332B, ASP165A, ASP165B, ASP193A, ASP193B, ASP202A, ASP333A, ASP333B, CYS40A, CYS40B, GLN171A, GLN171B, GLN194A, GLN194B, GLN305A, GLN305B, GLN309A, GLN309B, GLN315A, GLN315B, GLN319A, GLN319B, GLN325A, GLN325B, GLN331A, GLN331B, GLU159A, GLU159B, GLU175A, GLU175B, GLU196A, GLU196B, GLU288A, GLU288B, GLU303A, GLU308A, GLU308B, GLU313A, GLU313B, GLU339A, GLU339B, GLU368A, GLU368B, GLY136A, GLY136B, GLY137A, GLY137B, GLY232A, GLY232B, GLY235A, GLY235B, GLY311A, GLY311B, GLY340A, GLY340B, GLY36A, GLY36B, GLY370A, GLY370B, GLY39A, GLY39B, HIS192A, HIS192B, HIS223A, HIS223B, HIS289A, HIS289B, HIS317A, HIS317B, ILE174A, ILE174B, ILE204A, ILE204B, ILE234A, ILE234B, LEU161A, LEU161B, LEU164A, LEU164B, LEU168A, LEU168B, LEU200A, LEU200B, LEU219A, LEU219B, LEU310A, LEU310B, LEU336A, LEU336B, LYS181A, LYS181B, LYS217A, LYS217B, LYS238A, LYS238B, LYS42A, LYS42B, MET198A, MET198B, PHE233A, PHE233B, PRO218A, PRO218B, PRO237A, PRO237B, PRO287A, PRO287B, PRO369A, PRO369B, PRO37A, PRO37B, SER135A, SER135B, SER162A, SER162B, SER177A, SER177B, SER236A, SER236B, SER38A, SER38B, THR191A, THR191B, THR199A, THR199B, THR314A, THR314B, TYR222A, TYR222B, VAL170A, VAL170B, VAL195A, VAL195B, VAL304A, VAL304B, VAL306A, VAL306B, VAL307A, VAL307B, VAL328A, VAL328B, VAL334A, VAL334B, VAL335A, VAL335B, VAL371A, VAL371B