2BO4

dissection of mannosylglycerate synthase: an archetypal mannosyltransferase

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 24
  • Norm. En. per Res.: -3.634
• 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	-52.9399	-5.3361	-286.156	-344.432	104	7	6	11150	2	32	38
A-D	-18.8743	-66.762	-190.491	-276.1273	115	12	1	8583	4	82	88
A-E	-22.4364	0.0	-11.7121	-34.1485	14	1	1	487	8	4	3
A-F	-31.5343	-55.9007	-305.341	-392.776	129	5	3	10766	9	44	52
B-E	-38.333	-54.9005	-300.459	-393.6925	131	6	3	10675	9	45	53
B-F	-3.7877	-50.7383	-32.6899	-87.216	24	1	0	1619	0	8	11
C-D	-53.6901	-6.7681	-288.593	-349.0512	104	7	6	11166	2	32	38
E-F	-56.6442	-8.5711	-288.413	-353.6283	104	8	6	11171	2	33	38

Interface residues

• A-B: ALA132A, ALA132B, ALA264A, ALA264B, ALA273A, ALA273B, ALA309A, ALA309B, ALA356A, ALA356B, ALA363A, ALA363B, ARG266A, ARG266B, ARG277A, ARG277B, ARG306A, ARG306B, ARG307A, ARG307B, ARG358A, ARG358B, ASN311A, ASN311B, ASN350A, ASN350B, ASP270A, ASP270B, ASP361A, ASP361B, GLN280A, GLN280B, GLN305A, GLN305B, GLN365A, GLN365B, GLU265A, GLU265B, GLU272A, GLU272B, GLY268A, GLY268B, GLY300A, GLY300B, GLY359A, GLY359B, HIS262A, HIS262B, HIS276A, HIS276B, ILE263A, ILE263B, 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, THR346B, THR352A, THR352B, THR354A, THR354B, TYR220A, TYR220B, TYR269A, TYR269B, TYR351A, TYR351B, TYR360A, TYR360B, TYR362A, TYR362B, VAL261A, VAL261B, VAL267A, VAL267B, VAL271A, VAL271B, VAL355A, VAL355B
• A-D: ALA50A, ARG182A, ARG185A, ARG186A, ARG227D, ARG277D, ARG285A, ARG285D, ARG39A, ARG39D, ARG48A, ARG64A, ARG64D, ARG68A, ARG68D, ARG73A, ARG73D, ARG85A, ASP188A, ASP188D, ASP224D, ASP333A, ASP333D, ASP335A, ASP335D, ASP40A, ASP40D, ASP78A, ASP78D, GLN238A, GLN241A, GLN280D, GLN286D, GLN330A, GLN330D, GLN41A, GLN41D, GLN66A, GLN66D, GLU181A, GLU232A, GLU232D, GLU288D, GLU327A, GLU337A, GLU337D, GLU338D, GLU38A, GLU38D, GLU44A, GLU44D, GLU47A, GLU67A, GLU67D, GLU89A, GLU90A, GLY332A, GLY332D, GLY36A, GLY36D, GLY70A, GLY70D, GLY75D, GLY79D, HIS10D, HIS276D, HIS281D, HIS328A, ILE35A, ILE35D, LEU289A, LEU289D, LEU326A, LEU33A, LEU65A, LEU65D, LEU69A, LEU69D, LEU72A, LEU72D, LYS342D, LYS9D, MET229D, PHE329A, PRO284D, PRO331A, PRO334A, PRO334D, PRO51A, PRO74A, PRO74D, SER187A, SER187D, SER239A, SER62A, THR228D, THR283D, THR42D, THR71A, THR71D, THR82A, THR82D, TRP189D, TRP282D, TRP336A, TRP336D, TYR37A, TYR37D, TYR43A, TYR43D, TYR86A, VAL231D, VAL287D, VAL61A, VAL63A
• A-E: ALA264A, ALA264E, ARG258A, ARG258E, GLU265A, GLU265E, HIS262A, HIS262E, PRO260A, PRO260E, VAL259A, VAL259E, VAL261A, VAL261E
• A-F: ALA117A, ALA117F, ALA118F, ALA148A, ALA249A, ALA249F, ALA356A, ALA363A, ALA363F, ALA378A, ALA378F, ALA379A, ALA379F, ARG144F, ARG252A, ARG252F, ARG258A, ARG258F, ARG28F, ARG358A, ARG358F, ARG369A, ARG369F, ARG373A, ARG373F, ARG375A, ARG375F, ASP119A, ASP119F, ASP361A, ASP361F, CYS209F, GLN247A, GLN247F, GLN253A, GLN253F, GLN364A, GLN364F, GLN365A, GLN365F, GLN377A, GLN377F, GLU115F, GLU116A, GLU116F, GLU155A, GLU155F, GLU160F, GLU208A, GLU208F, GLU254A, GLU254F, GLU381F, GLY121F, GLY246F, GLY359A, GLY359F, GLY372A, GLY372F, HIS153A, HIS153F, HIS251A, HIS251F, HIS255A, HIS255F, HIS257A, HIS257F, ILE159A, ILE159F, ILE206A, ILE211F, ILE250A, ILE250F, LEU156A, LEU156F, LEU357A, LEU367A, LEU371F, LEU380A, LEU380F, LYS113A, LYS113F, MET370A, PHE120A, PHE120F, PRO152A, PRO152F, PRO212A, PRO212F, PRO248A, PRO248F, PRO256A, PRO256F, SER157A, SER157F, SER205A, SER205F, THR112A, THR112F, THR154A, THR154F, TRP140A, TRP140F, TRP151A, TRP151F, TRP158A, TRP158F, TYR122A, TYR122F, TYR128A, TYR128F, TYR207A, TYR207F, TYR210A, TYR210F, TYR360A, TYR360F, TYR362A, TYR362F, TYR366A, TYR366F, TYR368A, TYR368F, TYR374A, TYR376A, TYR376F, VAL259A, VAL259F, VAL355A
• B-E: ALA117B, ALA117E, ALA118B, ALA148E, ALA249B, ALA249E, ALA356E, ALA363B, ALA363E, ALA378B, ALA378E, ALA379B, ALA379E, ARG144B, ARG252B, ARG252E, ARG258B, ARG258E, ARG28B, ARG28E, ARG358B, ARG358E, ARG369B, ARG369E, ARG373B, ARG373E, ARG375B, ARG375E, ASP119B, ASP119E, ASP361B, ASP361E, CYS209B, GLN247B, GLN247E, GLN253B, GLN253E, GLN364B, GLN364E, GLN365B, GLN365E, GLN377B, GLN377E, GLU115B, GLU116B, GLU116E, GLU155B, GLU155E, GLU160B, GLU160E, GLU208B, GLU208E, GLU254B, GLU254E, GLU381B, GLY121B, GLY246B, GLY359B, GLY359E, GLY372B, GLY372E, HIS153B, HIS153E, HIS251B, HIS251E, HIS255B, HIS255E, HIS257B, HIS257E, ILE159B, ILE159E, ILE206E, ILE211B, ILE250B, ILE250E, LEU156B, LEU156E, LEU357E, LEU367E, LEU371B, LEU380B, LEU380E, LYS113B, LYS113E, MET370E, PHE120B, PHE120E, PRO152B, PRO152E, PRO212B, PRO212E, PRO248B, PRO248E, PRO256B, PRO256E, SER157B, SER157E, SER205B, SER205E, THR112B, THR112E, THR154B, THR154E, TRP140B, TRP140E, TRP151B, TRP151E, TRP158B, TRP158E, TYR122B, TYR122E, TYR128B, TYR128E, TYR207B, TYR207E, TYR210B, TYR210E, TYR360B, TYR360E, TYR362B, TYR362E, TYR366B, TYR366E, TYR368B, TYR368E, TYR374E, TYR376B, TYR376E, VAL259B, VAL259E, VAL355E
• B-F: ALA264B, ALA264F, ARG258B, ARG258F, ARG266B, ARG266F, ASP361B, ASP361F, GLU265B, GLU265F, GLY359B, GLY359F, HIS257B, HIS257F, HIS262B, HIS262F, PRO260B, PRO260F, TYR360B, TYR360F, VAL259B, VAL259F, VAL261B, VAL261F
• C-D: ALA132C, ALA132D, ALA264C, ALA264D, ALA273C, ALA273D, ALA309C, ALA309D, ALA356C, ALA356D, ALA363C, ALA363D, ARG266C, ARG266D, ARG277C, ARG277D, ARG306C, ARG306D, ARG307C, ARG307D, ARG358C, ARG358D, ASN311C, ASN311D, ASN350C, ASN350D, ASP270C, ASP270D, ASP361C, ASP361D, GLN280C, GLN280D, GLN305C, GLN305D, GLN365C, GLN365D, GLU265C, GLU265D, GLU272C, GLU272D, GLY268C, GLY268D, GLY300C, GLY300D, GLY359C, GLY359D, HIS262C, HIS262D, HIS276C, HIS276D, ILE263C, ILE263D, 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, TYR220C, TYR220D, 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, ARG266E, ARG266F, ARG277E, ARG277F, ARG306E, ARG306F, ARG307E, ARG307F, ARG358E, ARG358F, ASN311E, ASN311F, ASN350E, ASN350F, ASP270E, ASP270F, ASP361E, ASP361F, GLN280E, GLN280F, GLN305E, GLN305F, GLN365E, GLN365F, GLU265E, GLU265F, GLU272E, GLU272F, GLY268E, GLY268F, GLY300E, GLY300F, GLY359E, GLY359F, HIS262E, HIS262F, HIS276E, HIS276F, ILE263E, ILE263F, 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, THR346E, THR346F, THR352E, THR352F, THR354E, THR354F, TYR220E, TYR220F, TYR269E, TYR269F, TYR351E, TYR351F, TYR360E, TYR360F, TYR362E, TYR362F, VAL261E, VAL261F, VAL267E, VAL267F, VAL271E, VAL271F, VAL355E, VAL355F