2BO8

dissection of mannosylglycerate synthase: an archetypal mannosyltransferase

• Total interactions analyzed: 45
• Total true interactions: 18
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 103
  • Norm. En. per Res.: -3.5902
• Hub Node: A(5)

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	-55.8117	5.4028	-270.272	-320.6809	100	9	5	10936	3	30	35
A-C	0.0	0.0	-1.1368	-1.1368	11	0	1	251	0	8	6
A-D	-10.6609	-61.0646	-195.159	-266.8845	119	15	2	8337	3	46	57
A-E	-23.7043	-8.9475	-117.895	-150.5467	68	4	0	5606	0	64	65
A-F	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	2	1
B-C	0.0	-25.4235	-221.041	-246.4645	124	12	3	8718	2	47	55
B-D	0.0	0.0	-0.8989	-0.8989	12	0	0	226	0	8	6
B-F	0.0	-0.2262	-29.6743	-29.9005	30	4	1	1974	0	16	20
C-D	-71.571	4.262	-299.56	-366.869	106	11	6	11530	4	31	36
E-F	-72.3919	-10.8554	-286.539	-369.7863	103	11	6	11356	4	30	35
E-G	0.0	-58.3647	-224.369	-282.7337	123	4	2	8568	2	45	53
E-H	0.0	0.0	-0.8381	-0.8381	12	0	0	221	0	8	7
F-G	0.0	0.0	-0.6507	-0.6507	10	0	0	186	0	8	7
F-H	0.0	-38.116	-221.375	-259.491	121	7	2	8542	2	47	55
G-H	-67.7602	-8.0266	-279.854	-355.6409	102	9	6	11150	4	30	33
G-J	0.0	16.1603	-15.4633	0.697	21	1	0	942	0	7	14
H-I	-22.0551	-10.4787	-109.878	-142.4118	67	8	0	5305	0	61	64
I-J	-64.5977	-7.4017	-270.909	-342.9084	102	13	6	11065	4	29	33

Interface residues

• A-B: ALA132A, ALA132B, ALA264A, ALA264B, ALA273A, ALA273B, ALA309A, ALA309B, ALA356A, ALA356B, ALA363A, ALA363B, ARG258A, ARG266A, ARG266B, ARG277A, ARG277B, ARG306A, ARG306B, ARG307A, ARG307B, ARG358A, ARG358B, ASN311A, ASN311B, ASN350A, ASN350B, ASP270A, ASP270B, ASP361A, ASP361B, CYS304A, GLN280A, GLN280B, GLN365A, GLN365B, GLU265A, GLU265B, GLU272A, GLU272B, GLY268A, GLY268B, GLY300A, GLY300B, GLY359A, GLY359B, HIS262A, HIS262B, HIS276A, HIS276B, LEU219B, LEU275A, LEU275B, LEU278A, LEU278B, LEU349A, LEU349B, LEU357A, LEU357B, MET279A, MET279B, MET313A, MET313B, MET353A, MET353B, PHE310A, PHE310B, PHE312A, PHE312B, PRO308A, PRO308B, SER133A, SER133B, THR134A, THR134B, THR274A, THR274B, THR303A, THR303B, THR346A, THR352A, THR352B, THR354A, THR354B, TYR269A, TYR269B, TYR351A, TYR351B, TYR360A, TYR360B, TYR362A, TYR362B, VAL261A, VAL261B, VAL267A, VAL267B, VAL271A, VAL271B, VAL355A, VAL355B
• A-C: ARG258A, ARG258C, GLU265A, GLU265C, HIS257C, PRO260A, PRO260C, VAL259A, VAL259C, VAL261A, VAL261C
• A-D: ALA117A, ALA117D, ALA118A, ALA148A, ALA148D, ALA249A, ALA249D, ALA378A, ALA378D, ALA379A, ALA379D, ARG144A, ARG144D, ARG252A, ARG252D, ARG258A, ARG258D, ARG28A, ARG28D, ARG369A, ARG369D, ARG373D, ARG375A, ARG375D, ARG95A, ASP119A, ASP119D, ASP361A, ASP361D, GLN247A, GLN247D, GLN253A, GLN253D, GLN364A, GLN364D, GLN365A, GLN365D, GLN377A, GLN377D, GLU115A, GLU115D, GLU116A, GLU116D, GLU155A, GLU155D, GLU160A, GLU160D, GLU208A, GLU208D, GLU254A, GLU254D, GLY121A, GLY121D, GLY372A, GLY372D, HIS153A, HIS153D, HIS251A, HIS251D, HIS255A, HIS255D, HIS257A, HIS257D, ILE250A, ILE250D, LEU156A, LEU156D, LEU367A, LEU367D, LEU371A, LEU371D, LEU380A, LEU380D, LYS113A, LYS113D, PHE120A, PHE120D, PRO152A, PRO152D, PRO212A, PRO212D, PRO248A, PRO248D, PRO256A, PRO256D, SER157D, SER205D, THR112A, THR154A, THR154D, TRP140A, TRP140D, TRP151A, TRP151D, TRP158A, TRP158D, TYR122A, TYR122D, TYR128A, TYR128D, TYR207A, TYR207D, TYR210A, TYR360A, TYR360D, TYR362A, TYR362D, TYR366A, TYR366D, TYR368A, TYR368D, TYR374A, TYR374D, TYR376A, TYR376D, VAL200A, VAL200D, VAL259A, VAL259D
• A-E: ARG185A, ARG185E, ARG39A, ARG39E, ARG68A, ARG68E, ARG73A, ARG73E, ASP188A, ASP188E, ASP333A, ASP333E, ASP40A, ASP40E, ASP78A, ASP78E, GLN280A, GLN280E, GLN330A, GLN330E, GLN41A, GLN41E, GLN66A, GLN66E, GLU232A, GLU232E, GLU38A, GLU38E, GLU67A, GLU67E, GLY332A, GLY332E, GLY36A, GLY36E, GLY70A, GLY70E, GLY75A, GLY75E, HIS10A, HIS10E, HIS12A, HIS12E, HIS276A, HIS276E, LEU65A, LEU65E, LEU69A, LEU69E, LEU72A, LEU72E, LYS9A, LYS9E, PRO331A, PRO331E, PRO334A, PRO334E, PRO74A, PRO74E, SER187A, SER187E, THR42A, THR71A, THR71E, TRP336E, TYR37A, TYR37E, TYR43A, TYR43E
• A-F: ARG306F, HIS276A
• B-C: ALA117B, ALA117C, ALA118B, ALA118C, ALA148B, ALA148C, ALA249B, ALA249C, ALA363B, ALA378B, ALA378C, ALA379B, ALA379C, ARG144B, ARG144C, ARG252B, ARG252C, ARG258B, ARG258C, ARG28B, ARG28C, ARG369B, ARG369C, ARG373B, ARG373C, ARG375B, ARG375C, ASP119B, ASP119C, ASP361B, ASP361C, GLN247B, GLN247C, GLN253B, GLN253C, GLN364B, GLN364C, GLN365B, GLN365C, GLN377B, GLN377C, GLU115B, GLU115C, GLU116B, GLU116C, GLU155B, GLU155C, GLU160B, GLU160C, GLU208B, GLU208C, GLU254B, GLU254C, GLY121B, GLY121C, GLY372B, GLY372C, HIS153B, HIS153C, HIS251B, HIS251C, HIS255B, HIS255C, HIS257B, HIS257C, ILE250B, ILE250C, LEU156B, LEU156C, LEU367B, LEU367C, LEU371B, LEU371C, LEU380B, LEU380C, LYS113B, LYS113C, PHE120B, PHE120C, PRO152B, PRO152C, PRO212B, PRO212C, PRO248B, PRO248C, PRO256B, PRO256C, SER157B, SER157C, SER205C, THR112B, THR112C, THR154B, THR154C, TRP140B, TRP140C, TRP151B, TRP151C, TRP158B, TRP158C, TYR122B, TYR122C, TYR128B, TYR128C, TYR207B, TYR207C, TYR210B, TYR210C, TYR360B, TYR360C, TYR362B, TYR362C, TYR366B, TYR366C, TYR368B, TYR368C, TYR374B, TYR374C, TYR376B, TYR376C, VAL200B, VAL200C, VAL259B, VAL259C
• B-D: ARG258B, ARG258D, GLU265B, GLU265D, HIS257B, HIS257D, PRO260B, PRO260D, VAL259B, VAL259D, VAL261B, VAL261D
• B-F: ARG285B, ARG285F, ARG298B, ARG302B, ARG302F, ARG306B, ARG306F, ARG307B, GLN286B, GLN305B, GLN305F, GLU288B, GLU288F, GLU291B, GLU291F, GLU299B, GLU299F, LEU289B, LEU289F, LEU290B, PRO284B, PRO284F, THR283B, THR283F, THR303B, THR303F, TRP282B, TRP282F, VAL287B, VAL287F
• C-D: ALA132C, ALA132D, ALA264C, ALA264D, ALA273C, ALA273D, ALA309C, ALA309D, ALA356C, ALA356D, ALA363C, ALA363D, ARG258C, ARG258D, ARG266C, ARG266D, ARG277C, ARG277D, ARG306C, ARG306D, ARG307C, ARG307D, ARG358C, ARG358D, ASN311C, ASN311D, ASN350C, ASN350D, ASP270C, ASP270D, ASP361C, ASP361D, CYS304C, GLN280C, GLN280D, GLN305C, GLN305D, GLN365C, GLN365D, GLU265C, GLU265D, GLU272C, GLU272D, GLY268C, GLY268D, GLY300C, GLY300D, GLY359C, GLY359D, HIS262C, HIS262D, HIS276C, HIS276D, ILE263D, LEU219C, LEU219D, LEU275C, LEU275D, LEU278C, LEU278D, LEU349C, LEU349D, LEU357C, LEU357D, MET279C, MET279D, MET313C, MET313D, MET353C, MET353D, PHE310C, PHE310D, PHE312C, PHE312D, PRO308C, PRO308D, SER133C, SER133D, THR134C, THR134D, THR274C, THR274D, THR303C, THR303D, THR346C, THR346D, THR352C, THR352D, THR354C, THR354D, TYR269C, TYR269D, TYR351C, TYR351D, TYR360C, TYR360D, TYR362C, TYR362D, VAL261C, VAL261D, VAL267C, VAL267D, VAL271C, VAL271D, VAL355C, VAL355D
• E-F: ALA132E, ALA132F, ALA264E, ALA264F, ALA273E, ALA273F, ALA309E, ALA309F, ALA356E, ALA356F, ALA363E, ALA363F, ARG258E, ARG258F, ARG266E, ARG266F, ARG277E, ARG277F, ARG306E, ARG306F, ARG307E, ARG307F, ARG358E, ARG358F, ASN311E, ASN311F, ASN350E, ASN350F, ASP270E, ASP270F, ASP361E, ASP361F, CYS304F, GLN280E, GLN280F, GLN305E, GLN305F, GLN365E, GLN365F, GLU265E, GLU265F, GLU272E, GLU272F, GLY268E, GLY268F, GLY300E, GLY300F, GLY359E, GLY359F, HIS262E, HIS262F, HIS276E, HIS276F, LEU219E, LEU275E, LEU275F, LEU278E, LEU278F, LEU349E, LEU349F, LEU357E, LEU357F, MET279E, MET279F, MET313E, MET313F, MET353E, MET353F, PHE310E, PHE310F, PHE312E, PHE312F, PRO308E, PRO308F, SER133E, SER133F, THR134E, THR134F, THR274E, THR274F, THR303E, THR303F, THR346F, THR352E, THR352F, THR354E, THR354F, TYR269E, TYR269F, TYR351E, TYR351F, TYR360E, TYR360F, TYR362E, TYR362F, VAL261E, VAL261F, VAL267E, VAL267F, VAL271E, VAL271F, VAL355E, VAL355F
• E-G: ALA117E, ALA117G, ALA118E, ALA118G, ALA148E, ALA148G, ALA249E, ALA249G, ALA363E, ALA378E, ALA378G, ALA379E, ALA379G, ARG144E, ARG144G, ARG252E, ARG252G, ARG258E, ARG258G, ARG28E, ARG28G, ARG369E, ARG369G, ARG373E, ARG373G, ARG375E, ARG375G, ASP119E, ASP119G, ASP361E, ASP361G, GLN247E, GLN247G, GLN253E, GLN253G, GLN364E, GLN364G, GLN365E, GLN365G, GLN377E, GLN377G, GLU115E, GLU115G, GLU116E, GLU116G, GLU155E, GLU155G, GLU160E, GLU160G, GLU208E, GLU208G, GLU254E, GLU254G, GLY121E, GLY121G, GLY372E, GLY372G, HIS153E, HIS153G, HIS251E, HIS251G, HIS255E, HIS255G, HIS257E, HIS257G, ILE250E, ILE250G, LEU156E, LEU156G, LEU367E, LEU367G, LEU371E, LEU371G, LEU380E, LEU380G, LYS113E, LYS113G, PHE120E, PHE120G, PRO152E, PRO152G, PRO212E, PRO212G, PRO248E, PRO248G, PRO256E, PRO256G, SER157E, SER157G, SER205E, SER205G, THR112E, THR112G, THR154E, THR154G, TRP140E, TRP140G, TRP151E, TRP151G, TRP158E, TRP158G, TYR122E, TYR122G, TYR207E, TYR207G, TYR210E, TYR210G, TYR360E, TYR360G, TYR362E, TYR362G, TYR366E, TYR366G, TYR368E, TYR368G, TYR374E, TYR374G, TYR376E, TYR376G, VAL200E, VAL200G, VAL259E, VAL259G
• E-H: ARG258E, ARG258H, GLU265E, GLU265H, HIS257E, HIS257H, PRO260E, PRO260H, VAL259E, VAL259H, VAL261E, VAL261H
• F-G: ARG258F, ARG258G, GLU265F, GLU265G, PRO260F, PRO260G, VAL259F, VAL259G, VAL261F, VAL261G
• F-H: ALA117F, ALA117H, ALA118F, ALA118H, ALA148F, ALA148H, ALA249F, ALA249H, ALA378F, ALA378H, ALA379F, ALA379H, ARG144F, ARG144H, ARG252F, ARG252H, ARG258F, ARG258H, ARG28F, ARG28H, ARG369F, ARG369H, ARG373F, ARG373H, ARG375F, ARG375H, ASP119F, ASP119H, ASP361F, ASP361H, GLN247F, GLN247H, GLN253F, GLN253H, GLN364F, GLN364H, GLN365F, GLN365H, GLN377F, GLN377H, GLU115F, GLU115H, GLU116F, GLU116H, GLU155F, GLU155H, GLU160F, GLU160H, GLU208F, GLU208H, GLU254F, GLU254H, GLY121F, GLY121H, GLY246H, GLY372F, GLY372H, HIS153F, HIS153H, HIS251F, HIS251H, HIS255F, HIS255H, HIS257F, HIS257H, ILE250F, ILE250H, LEU156F, LEU156H, LEU367F, LEU367H, LEU371F, LEU371H, LEU380F, LEU380H, LYS113F, LYS113H, PHE120F, PHE120H, PRO152F, PRO152H, PRO212F, PRO212H, PRO248F, PRO248H, PRO256F, PRO256H, SER157F, SER157H, THR112F, THR112H, THR154F, THR154H, TRP140F, TRP140H, TRP151F, TRP151H, TRP158F, TRP158H, TYR122F, TYR122H, TYR207F, TYR207H, TYR210F, TYR210H, TYR360F, TYR360H, TYR362F, TYR362H, TYR366F, TYR366H, TYR368F, TYR368H, TYR374F, TYR374H, TYR376F, TYR376H, VAL200F, VAL200H, VAL259F, VAL259H
• G-H: ALA132G, ALA132H, ALA264G, ALA264H, ALA273G, ALA273H, ALA309G, ALA309H, ALA356G, ALA356H, ALA363G, ALA363H, ARG258G, ARG258H, ARG266G, ARG266H, ARG277G, ARG277H, ARG306G, ARG306H, ARG307G, ARG307H, ARG358G, ARG358H, ASN311G, ASN311H, ASN350G, ASN350H, ASP270G, ASP270H, ASP361G, ASP361H, GLN280G, GLN280H, GLN364G, GLN365G, GLN365H, GLU265G, GLU265H, GLU272G, GLU272H, GLY268G, GLY268H, GLY300G, GLY300H, GLY359G, GLY359H, HIS262G, HIS262H, HIS276G, HIS276H, ILE263H, LEU219H, LEU275G, LEU275H, LEU278G, LEU278H, LEU349G, LEU349H, LEU357G, LEU357H, MET279G, MET279H, MET313G, MET313H, MET353G, MET353H, PHE310G, PHE310H, PHE312G, PHE312H, PRO308G, PRO308H, SER133G, SER133H, THR134G, THR134H, THR274G, THR274H, THR303G, THR303H, THR346G, THR352G, THR352H, THR354G, THR354H, TYR269G, TYR269H, TYR351G, TYR351H, TYR360G, TYR360H, TYR362G, TYR362H, VAL261G, VAL261H, VAL267G, VAL267H, VAL271G, VAL271H, VAL355G, VAL355H
• G-J: ARG285G, ARG285J, ARG302G, ARG302J, ARG306G, ARG306J, GLN305G, GLN305J, GLU288G, GLU288J, GLU291J, GLU299G, GLU299J, PRO284G, PRO284J, THR283G, THR283J, THR303G, THR303J, VAL287G, VAL287J
• H-I: ARG185H, ARG185I, ARG39H, ARG39I, ARG68H, ARG68I, ARG73H, ARG73I, ASP188H, ASP188I, ASP333H, ASP333I, ASP40H, ASP40I, ASP78H, ASP78I, GLN280H, GLN280I, GLN330H, GLN330I, GLN41H, GLN41I, GLN66H, GLN66I, GLU232H, GLU232I, GLU38H, GLU38I, GLU44H, GLU67H, GLU67I, GLY332H, GLY332I, GLY36H, GLY36I, GLY70H, GLY70I, GLY75H, GLY75I, HIS10H, HIS10I, HIS276H, HIS276I, LEU65H, LEU65I, LEU69H, LEU69I, LEU72H, LEU72I, LYS9H, LYS9I, PRO331H, PRO331I, PRO334H, PRO334I, PRO74H, PRO74I, SER187H, SER187I, THR71H, THR71I, THR82H, THR82I, TYR37H, TYR37I, TYR43H, TYR43I
• I-J: ALA132I, ALA132J, ALA264I, ALA264J, ALA273I, ALA273J, ALA309I, ALA309J, ALA356I, ALA356J, ALA363I, ALA363J, ARG258I, ARG258J, ARG266I, ARG266J, ARG277I, ARG277J, ARG306I, ARG306J, ARG307I, ARG307J, ARG358I, ARG358J, ASN311I, ASN311J, ASN350I, ASN350J, ASP270I, ASP270J, ASP361I, ASP361J, GLN280I, GLN280J, GLN305J, GLN364J, GLN365I, GLN365J, GLU265I, GLU265J, GLU272I, GLU272J, GLY268I, GLY268J, GLY300I, GLY300J, GLY359I, GLY359J, HIS262I, HIS262J, HIS276I, HIS276J, ILE263I, LEU219I, LEU275I, LEU275J, LEU278I, LEU278J, LEU349I, LEU349J, LEU357I, LEU357J, MET279I, MET279J, MET313I, MET313J, MET353I, MET353J, PHE310I, PHE310J, PHE312I, PHE312J, PRO308I, PRO308J, SER133I, SER133J, THR134I, THR134J, THR274I, THR274J, THR303I, THR303J, THR352I, THR352J, THR354I, THR354J, TYR269I, TYR269J, TYR351I, TYR351J, TYR360I, TYR360J, TYR362I, TYR362J, VAL261I, VAL261J, VAL267I, VAL267J, VAL271I, VAL271J, VAL355I, VAL355J