3QDK

structural insight on mechanism and diverse substrate selection strategy of ribulokinase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 186
  • Norm. En. per Res.: -4.6934
• Hub Node: A(3)

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	-116.8784	-73.1724	-589.265	-779.3157	177	31	12	23773	4	41	28
A-C	-14.9302	-30.9509	-24.1245	-70.0056	58	7	0	1526	2	26	24
A-D	-16.9389	0.0	-69.4604	-86.3993	36	2	1	2625	0	18	11
B-C	0.0	0.0	-0.004	-0.004	2	0	0	3	0	2	3
B-D	0.0	-9.0561	-13.9619	-23.018	49	0	0	1060	0	23	18
C-D	-136.1495	-60.9205	-675.901	-872.971	186	35	11	26662	7	52	42

Interface residues

• A-B: ALA334A, ALA334B, ALA340A, ALA340B, ALA349A, ALA349B, ALA350A, ALA350B, ALA382A, ALA382B, ALA522A, ALA522B, ALA542A, ALA542B, ALA551A, ALA551B, ARG374A, ARG374B, ARG548A, ARG548B, ASN387A, ASN387B, ASN543A, ASN543B, ASP337A, ASP337B, ASP353A, ASP353B, ASP384A, ASP384B, ASP536A, ASP536B, ASP544A, ASP544B, GLN408A, GLN408B, GLN529A, GLN529B, GLU377A, GLU377B, GLU412A, GLU412B, GLU413A, GLU413B, GLU525A, GLU525B, GLU530A, GLU530B, GLY336A, GLY336B, GLY346A, GLY346B, GLY376A, GLY376B, GLY379A, GLY379B, GLY388A, GLY388B, GLY400A, GLY400B, GLY404A, GLY404B, HIS345A, HIS345B, HIS535A, HIS535B, ILE338A, ILE338B, ILE414A, ILE414B, ILE523A, ILE523B, LEU373A, LEU373B, LEU380A, LEU380B, LEU381A, LEU381B, LEU383A, LEU383B, LEU398A, LEU398B, LEU402A, LEU402B, LEU403A, LEU403B, LEU407A, LEU407B, LEU418A, LEU418B, LEU527A, LEU527B, LEU534A, LEU534B, LEU549A, LEU549B, LEU552A, LEU552B, LYS344A, LYS344B, LYS410A, LYS410B, LYS526A, LYS526B, LYS547A, LYS547B, LYS550A, LYS550B, LYS553A, LYS553B, MET401A, MET401B, MET546A, MET546B, PHE339A, PHE339B, PHE342A, PHE342B, PHE352A, PHE352B, PHE424A, PHE424B, PHE538A, PHE538B, PRO375A, PRO375B, PRO411A, PRO411B, SER297A, SER297B, SER333A, SER333B, SER348A, SER348B, SER378A, SER378B, SER399A, SER399B, THR296A, THR296B, THR351A, THR351B, THR396A, THR406A, THR406B, THR409A, THR409B, THR533A, THR533B, TRP341A, TRP341B, TRP385A, TRP385B, TRP386A, TRP386B, TYR405A, TYR405B, TYR524A, TYR524B, TYR528A, TYR528B, TYR531A, TYR531B, TYR537A, TYR537B, VAL335A, VAL335B, VAL343A, VAL343B, VAL347A, VAL347B, VAL362A, VAL362B, VAL532A, VAL532B, VAL545A, VAL545B
• A-C: ALA113A, ALA257A, ALA31C, ALA75A, ARG18C, ARG38A, ARG38C, ASN361C, ASN48A, ASN48C, ASP32C, ASP353C, ASP43A, ASP83A, GLN114A, GLN356C, GLN44A, GLN44C, GLN451C, GLU105A, GLU15A, GLU15C, GLU255A, GLU258A, GLU354C, GLU357C, GLU67A, GLU79A, GLU79C, GLY261A, GLY359C, GLY40C, HIS33C, HIS345A, HIS39C, LEU111A, LEU112A, LEU253A, LEU30C, LEU63A, LYS259A, LYS344A, LYS474C, LYS78A, LYS78C, MET256A, MET260A, MET77A, PRO254A, PRO36C, THR35C, THR70A, TYR37C, TYR45A, TYR45C, VAL34C, VAL360C, VAL66A
• A-D: ALA340A, ALA340D, ALA355A, ALA355D, ALA364A, ALA364D, ASN361A, ASN361D, ASP353D, GLN356A, GLN356D, GLN451A, GLU357A, GLU357D, GLU368A, GLU368D, GLY359A, GLY359D, GLY448A, HIS363A, HIS363D, LEU365A, LEU365D, LYS358A, LYS358D, LYS452A, LYS452D, PHE339A, PHE352A, PHE352D, VAL343A, VAL343D, VAL360A, VAL360D, VAL362A, VAL362D
• B-C: GLU357C, LYS410B
• B-D: ALA113D, ALA31B, ALA355B, ALA75D, ARG18B, ARG38B, ARG38D, ASN361B, ASN48B, ASN48D, ASN50B, ASP32B, ASP353B, ASP43D, GLN356B, GLN44B, GLN44D, GLN451B, GLU15B, GLU255D, GLU258D, GLU357B, GLU67B, GLU67D, GLU79B, GLU79D, GLY261D, GLY359B, GLY81D, HIS39B, LEU112D, LEU63D, LYS116D, LYS259D, LYS344D, LYS358B, LYS474B, LYS78D, MET256D, PRO36B, SER16B, SER80D, THR49B, THR70D, TYR45B, TYR45D, VAL34B, VAL360B, VAL66D
• C-D: ALA334C, ALA334D, ALA340C, ALA340D, ALA349C, ALA349D, ALA350C, ALA350D, ALA382C, ALA382D, ALA522C, ALA522D, ALA542C, ALA542D, ALA551C, ALA551D, ARG374C, ARG374D, ARG548C, ARG548D, ARG558C, ARG558D, ASN387C, ASN387D, ASN543C, ASN543D, ASP337C, ASP337D, ASP353C, ASP353D, ASP384C, ASP536C, ASP544C, ASP544D, GLN408C, GLN408D, GLN529C, GLN529D, GLN556C, GLN556D, GLU377C, GLU377D, GLU397C, GLU412C, GLU412D, GLU413C, GLU413D, GLU519C, GLU519D, GLU525C, GLU530C, GLU530D, GLY336C, GLY336D, GLY346C, GLY346D, GLY376C, GLY376D, GLY379C, GLY379D, GLY388C, GLY388D, GLY400C, GLY400D, GLY404C, GLY404D, HIS345C, HIS345D, HIS520C, HIS520D, HIS535C, HIS535D, HIS557C, HIS557D, ILE338C, ILE338D, ILE414C, ILE414D, ILE523C, ILE523D, ILE555C, ILE555D, LEU373C, LEU373D, LEU380C, LEU380D, LEU381C, LEU381D, LEU383C, LEU383D, LEU398C, LEU398D, LEU402C, LEU402D, LEU403C, LEU403D, LEU407C, LEU407D, LEU418C, LEU418D, LEU527C, LEU527D, LEU534C, LEU534D, LEU549C, LEU549D, LEU552C, LEU552D, LYS344C, LYS344D, LYS410C, LYS410D, LYS526C, LYS526D, LYS547C, LYS547D, LYS550C, LYS550D, LYS553C, LYS553D, MET401C, MET401D, MET546C, MET546D, PHE339C, PHE339D, PHE342C, PHE342D, PHE352C, PHE352D, PHE538C, PHE538D, PRO375C, PRO375D, PRO411C, PRO411D, SER297C, SER297D, SER333C, SER333D, SER348C, SER348D, SER378C, SER378D, SER399C, SER399D, SER554C, SER554D, THR296C, THR296D, THR351C, THR351D, THR396C, THR406C, THR406D, THR409C, THR409D, THR533C, THR533D, TRP341C, TRP341D, TRP385C, TRP385D, TRP386C, TRP386D, TYR405C, TYR405D, TYR524C, TYR524D, TYR528C, TYR531C, TYR531D, TYR537C, TYR537D, VAL335C, VAL335D, VAL343C, VAL343D, VAL347C, VAL347D, VAL362C, VAL362D, VAL532C, VAL532D, VAL545C, VAL545D