3VGK

crystal structure of a rok family glucokinase from streptomyces griseus

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 166
  • Norm. En. per Res.: -3.6536
• Hub Node: D(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-D	0.0	9.6375	-103.939	-94.3015	47	7	3	4577	0	14	5
A-F	0.0	27.0819	-22.5696	4.5123	49	0	0	1800	0	22	24
A-G	-77.4775	-46.1819	-462.671	-586.3303	170	33	12	20240	0	61	62
B-C	-93.6425	-39.8818	-462.069	-595.5933	165	19	11	19863	0	62	63
B-E	0.0	24.6294	-25.8932	-1.2638	60	2	0	1903	0	22	24
B-H	0.0	5.0994	-104.268	-99.1686	49	12	3	4509	0	12	5
C-D	-10.3575	5.4792	-9.7893	-14.6676	21	0	0	607	0	5	6
C-E	-35.3757	-2.9412	-107.885	-146.2019	48	7	3	4538	0	12	5
C-H	-14.4253	46.5073	-77.5436	-45.4616	65	5	2	4166	5	34	33
D-E	-19.8926	-21.0385	-56.2588	-97.1898	42	3	1	2663	2	19	21
D-F	-91.5507	-41.4481	-473.497	-606.4958	166	26	10	20416	0	63	63
D-G	0.0	51.6985	-87.5912	-35.8927	77	5	1	4715	2	36	33
D-H	-4.5612	-8.7913	-58.2762	-71.6288	39	1	0	2514	0	16	15
E-H	-110.9977	-28.3393	-477.3	-616.637	170	27	11	20185	0	61	65
F-G	-20.2488	-3.9411	-106.464	-130.6539	50	14	4	4555	0	13	5

Interface residues

• A-D: ALA183A, ALA183D, ARG159A, ARG182A, ARG182D, ARG186A, ARG186D, ARG238A, ARG238D, ASN193D, ASP163A, ASP163D, CYS167A, CYS167D, CYS169A, GLN172A, GLN172D, GLN177A, GLN177D, GLN190A, GLN190D, GLU235A, GLU235D, GLY164A, GLY164D, GLY170A, GLY170D, GLY173A, GLY173D, LEU165A, LEU165D, LEU166A, LEU166D, PRO162A, PRO162D, SER171A, SER171D, TRP239A, TRP239D, TYR178A, TYR178D, TYR187A, TYR187D, VAL160A, VAL160D, VAL161A, VAL161D
• A-F: ALA192F, ALA194A, ALA194F, ARG186A, ARG186F, ARG191A, ARG191F, ARG234A, ARG234F, ARG238A, ARG238F, ARG278A, ARG278F, ARG279A, ARG279F, ASN193A, ASN193F, ASN198A, ASN198F, ASP163A, ASP163F, ASP231A, ASP231F, GLN190A, GLN190F, GLU197A, GLU197F, GLU235A, GLU235F, GLU285A, GLU285F, GLY284A, LYS189A, LYS189F, LYS275A, LYS275F, PRO162A, PRO162F, SER276A, SER276F, THR195A, THR195F, TRP239F, TRP280A, TRP280F, TYR187A, TYR187F, VAL161A, VAL161F
• A-G: ALA152A, ALA152G, ALA153A, ALA153G, ALA237A, ALA240A, ALA240G, ALA242A, ALA242G, ALA245A, ALA245G, ALA248A, ALA248G, ALA255A, ALA255G, ALA290A, ALA290G, ALA78A, ALA78G, ARG145A, ARG145G, ARG146A, ARG146G, ARG148A, ARG148G, ARG159A, ARG159G, ARG238A, ARG238G, ARG279A, ARG287A, ARG287G, ARG84A, ARG84G, ASN142A, ASN142G, ASP123A, ASP123G, ASP124A, ASP124G, ASP163A, ASP163G, ASP246A, ASP246G, ASP252A, ASP252G, ASP69A, ASP69G, ASP70A, ASP70G, CYS167A, CYS167G, CYS169A, CYS169G, CYS174A, CYS174G, GLN172A, GLN172G, GLN291A, GLN291G, GLU154A, GLU154G, GLU285A, GLU285G, GLY121A, GLY137A, GLY137G, GLY141A, GLY141G, GLY147A, GLY147G, GLY150A, GLY150G, GLY156A, GLY156G, GLY164G, GLY170A, GLY170G, GLY173G, GLY241A, GLY241G, GLY243A, GLY243G, GLY283A, GLY283G, GLY284A, GLY284G, HIS122A, HIS122G, HIS157A, HIS157G, HIS289A, HIS289G, HIS85A, HIS85G, ILE126A, ILE126G, ILE128A, ILE138A, ILE138G, ILE140A, ILE140G, ILE158A, ILE158G, ILE282A, ILE282G, LEU144A, LEU144G, LEU244A, LEU244G, LEU247A, LEU247G, LEU250A, LEU250G, LEU281A, LEU281G, LEU76A, LEU76G, LYS143A, LYS143G, PHE149A, PHE149G, PHE155A, PHE155G, PHE251A, PHE251G, PHE256A, PHE277A, PHE277G, PHE77A, PHE77G, PRO162A, PRO162G, PRO253A, PRO253G, PRO288A, PRO288G, PRO79G, SER171A, SER171G, SER249A, SER249G, SER254A, SER254G, SER276A, TRP175A, TRP175G, TRP239A, TRP239G, TRP280A, TRP280G, TRP286A, TRP286G, TRP83A, TRP83G, TYR178A, TYR178G, TYR67A, TYR67G, VAL125A, VAL125G, VAL151A, VAL151G, VAL160A, VAL160G, VAL161A, VAL161G, VAL68A, VAL75A, VAL75G
• B-C: ALA152B, ALA152C, ALA153B, ALA153C, ALA240B, ALA240C, ALA242B, ALA242C, ALA245B, ALA245C, ALA248B, ALA248C, ALA255B, ALA255C, ALA290B, ALA290C, ALA78B, ALA78C, ARG145B, ARG145C, ARG146B, ARG146C, ARG148B, ARG148C, ARG159B, ARG159C, ARG238B, ARG238C, ARG279B, ARG279C, ARG287B, ARG287C, ARG84B, ARG84C, ASN142B, ASN142C, ASP123B, ASP123C, ASP124B, ASP124C, ASP163B, ASP163C, ASP246B, ASP246C, ASP252B, ASP252C, ASP69B, ASP69C, ASP70B, ASP70C, CYS167B, CYS167C, CYS169B, CYS169C, CYS174B, CYS174C, GLN172B, GLN172C, GLN291B, GLN291C, GLU154B, GLU154C, GLU285B, GLU285C, GLY121B, GLY121C, GLY141B, GLY141C, GLY147B, GLY147C, GLY150B, GLY150C, GLY156B, GLY156C, GLY168B, GLY170B, GLY170C, GLY173C, GLY241B, GLY241C, GLY243B, GLY243C, GLY283B, GLY283C, GLY284B, GLY284C, HIS122B, HIS122C, HIS157B, HIS157C, HIS289B, HIS289C, HIS85B, HIS85C, ILE126B, ILE126C, ILE128C, ILE138B, ILE138C, ILE140B, ILE140C, ILE158B, ILE158C, ILE282B, ILE282C, LEU144B, LEU144C, LEU247B, LEU247C, LEU250B, LEU250C, LEU281B, LEU281C, LEU76B, LEU76C, LYS143B, LYS143C, PHE149B, PHE149C, PHE155B, PHE155C, PHE251B, PHE251C, PHE256B, PHE277B, PHE277C, PHE77B, PHE77C, PRO162B, PRO162C, PRO253B, PRO253C, PRO288B, PRO288C, SER171B, SER171C, SER249B, SER249C, SER254B, SER254C, TRP175B, TRP175C, TRP239B, TRP239C, TRP280B, TRP280C, TRP286B, TRP286C, TRP83B, TRP83C, TYR178B, TYR178C, TYR67B, TYR67C, VAL125B, VAL125C, VAL151B, VAL151C, VAL160B, VAL160C, VAL161B, VAL161C, VAL68B, VAL75B, VAL75C
• B-E: ALA188B, ALA192B, ALA192E, ALA194B, ALA194E, ARG159B, ARG159E, ARG186B, ARG186E, ARG191B, ARG191E, ARG234B, ARG234E, ARG238B, ARG238E, ARG278B, ARG278E, ARG279B, ARG279E, ASN193B, ASN193E, ASN198B, ASN198E, ASP163B, ASP163E, ASP231B, ASP231E, GLN190B, GLN190E, GLU197B, GLU197E, GLU235B, GLU235E, GLU285B, GLU285E, GLY283E, GLY284B, GLY284E, LEU281B, LEU281E, LYS189B, LYS189E, LYS275B, LYS275E, PRO162B, PRO162E, PRO196E, PRO227E, SER276B, SER276E, THR195B, THR195E, TRP239B, TRP280B, TRP280E, TYR187B, TYR187E, VAL161B, VAL161E, VAL210B
• B-H: ALA183B, ALA183H, ALA194H, ARG159B, ARG182B, ARG182H, ARG186B, ARG186H, ARG238B, ARG238H, ASN193H, ASP163B, ASP163H, CYS167B, CYS167H, CYS169B, GLN172B, GLN172H, GLN177B, GLN177H, GLN190B, GLN190H, GLU235B, GLU235H, GLY164B, GLY164H, GLY170B, GLY170H, GLY173B, GLY173H, LEU165B, LEU165H, LEU166B, LEU166H, LYS189H, PRO162B, PRO162H, SER171B, SER171H, TRP239B, TRP239H, TYR178B, TYR178H, TYR187B, TYR187H, VAL160B, VAL160H, VAL161B, VAL161H
• C-D: ALA200C, ALA32D, ASP207C, ASP207D, GLU197C, GLU214D, GLY204C, GLY206C, GLY208C, HIS217C, HIS217D, LEU202C, LEU203C, LEU205C, LYS13D, LYS216D, LYS30D, PRO196C, SER209C, THR12D, VAL201C
• C-E: ALA183C, ALA183E, ALA194C, ARG159E, ARG182C, ARG182E, ARG186C, ARG186E, ARG238C, ARG238E, ASN193C, ASP163C, ASP163E, CYS167C, CYS167E, CYS169E, GLN172C, GLN172E, GLN177C, GLN177E, GLN190C, GLN190E, GLU235C, GLU235E, GLY164C, GLY164E, GLY170C, GLY170E, GLY173C, GLY173E, LEU165C, LEU165E, LEU166C, LEU166E, PRO162C, PRO162E, SER171C, SER171E, TRP239C, TRP239E, TYR178C, TYR178E, TYR187C, TYR187E, VAL160C, VAL160E, VAL161C, VAL161E
• C-H: ALA192C, ALA192H, ALA194C, ALA194H, ARG191C, ARG191H, ARG234C, ARG234H, ARG238C, ARG238H, ARG278C, ARG278H, ARG279C, ARG279H, ASN193C, ASN193H, ASN198C, ASN198H, ASP163C, ASP163H, ASP231C, ASP231H, GLN190C, GLN190H, GLU197C, GLU197H, GLU235C, GLU235H, GLU285C, GLU285H, GLY283C, GLY283H, GLY284C, GLY284H, HIS289C, HIS289H, ILE282C, ILE282H, LEU281C, LEU281H, LYS275C, LYS275H, PHE277C, PHE277H, PRO162C, PRO162H, PRO196C, PRO196H, PRO227H, SER276C, SER276H, THR195C, THR195H, TRP239C, TRP239H, TRP280C, TRP280H, TRP286C, VAL161C, VAL161H, VAL210C, VAL210H, VAL228C, VAL228H, VAL230H
• D-E: ALA199D, ALA200D, ALA221D, ALA222D, ALA73E, ARG148E, ARG223D, ARG72E, ARG84E, ASN198D, ASP226D, ASP69E, ASP70E, ASP90E, GLN224D, GLU197D, GLU220D, GLU265D, GLU267D, GLU86E, GLY150E, GLY204D, GLY225D, HIS85E, LEU202D, LEU203D, LEU205D, LEU268D, LEU76E, LYS71E, PHE149E, PHE77E, PRO227D, PRO87E, SER219D, THR74E, VAL151E, VAL201D, VAL228D, VAL230D, VAL68E, VAL75E
• D-F: ALA152D, ALA152F, ALA153D, ALA153F, ALA240D, ALA242D, ALA242F, ALA245D, ALA245F, ALA248D, ALA248F, ALA255D, ALA255F, ALA290D, ALA290F, ALA78D, ALA78F, ARG145D, ARG145F, ARG146D, ARG146F, ARG148D, ARG148F, ARG159D, ARG159F, ARG238D, ARG238F, ARG279D, ARG279F, ARG287D, ARG287F, ARG84D, ARG84F, ASN142D, ASN142F, ASP123D, ASP123F, ASP124D, ASP124F, ASP163D, ASP163F, ASP246D, ASP246F, ASP252D, ASP252F, ASP69D, ASP69F, ASP70D, ASP70F, CYS167D, CYS167F, CYS169D, CYS169F, CYS174D, CYS174F, GLN172D, GLN172F, GLN291D, GLN291F, GLU154D, GLU154F, GLU285D, GLU285F, GLY121D, GLY141D, GLY141F, GLY147D, GLY147F, GLY150D, GLY150F, GLY156D, GLY156F, GLY164D, GLY168F, GLY170D, GLY170F, GLY173D, GLY241D, GLY241F, GLY243D, GLY243F, GLY283D, GLY283F, GLY284D, GLY284F, HIS122D, HIS122F, HIS157D, HIS157F, HIS289D, HIS289F, HIS85D, HIS85F, ILE126D, ILE126F, ILE128F, ILE138D, ILE138F, ILE140D, ILE140F, ILE158D, ILE158F, ILE282D, ILE282F, LEU144D, LEU144F, LEU244D, LEU247D, LEU247F, LEU250D, LEU250F, LEU281D, LEU281F, LEU76D, LEU76F, LYS143D, LYS143F, PHE149D, PHE149F, PHE155D, PHE155F, PHE251D, PHE251F, PHE256F, PHE277D, PHE277F, PHE77D, PHE77F, PRO162D, PRO162F, PRO253D, PRO253F, PRO288D, PRO288F, SER171D, SER171F, SER249D, SER249F, SER254D, SER254F, TRP175D, TRP175F, TRP239D, TRP239F, TRP280D, TRP280F, TRP286D, TRP286F, TRP83D, TRP83F, TYR178D, TYR178F, TYR67D, TYR67F, VAL125D, VAL125F, VAL151D, VAL151F, VAL160D, VAL160F, VAL161D, VAL161F, VAL68D, VAL68F, VAL75D, VAL75F
• D-G: ALA188G, ALA192D, ALA192G, ALA194D, ALA194G, ARG159G, ARG186G, ARG191D, ARG191G, ARG234D, ARG234G, ARG238D, ARG238G, ARG274D, ARG278D, ARG278G, ARG279D, ARG279G, ASN193D, ASN193G, ASN198D, ASN198G, ASP163D, ASP163G, ASP231D, ASP231G, GLN190D, GLN190G, GLU197D, GLU197G, GLU235D, GLU235G, GLU285D, GLU285G, GLY283D, GLY283G, GLY284D, GLY284G, HIS289D, HIS289G, ILE282D, ILE282G, LEU203G, LEU281D, LEU281G, LYS189G, LYS275D, LYS275G, PHE277D, PHE277G, PRO162D, PRO162G, PRO196D, PRO196G, PRO227D, PRO227G, SER209G, SER232G, SER276D, SER276G, THR195D, THR195G, TRP239D, TRP239G, TRP280D, TRP280G, TRP286D, TRP286G, TYR187G, VAL161D, VAL161G, VAL210D, VAL210G, VAL228D, VAL228G, VAL230D, VAL230G
• D-H: ALA199D, ALA200D, ALA221D, ALA290H, ARG223D, ARG274H, ARG278H, ARG287H, ASP123H, ASP207D, ASP226D, GLN224D, GLN291H, GLU197D, GLU214D, GLU220D, GLU285H, GLY121H, GLY204D, GLY206D, GLY208D, GLY284H, HIS122H, HIS217D, HIS289H, LEU202D, LEU203D, LEU205D, LEU281H, LEU293H, LYS216D, PRO196D, PRO288H, SER209D, SER254H, TRP286H, VAL201D, VAL210D, VAL292H
• E-H: ALA152E, ALA152H, ALA153E, ALA153H, ALA240E, ALA240H, ALA242E, ALA242H, ALA245E, ALA245H, ALA248E, ALA248H, ALA255E, ALA255H, ALA290E, ALA290H, ALA78E, ALA78H, ARG145E, ARG145H, ARG146E, ARG146H, ARG148E, ARG148H, ARG159E, ARG159H, ARG238E, ARG238H, ARG279E, ARG279H, ARG287E, ARG287H, ARG84E, ARG84H, ASN142E, ASN142H, ASP123E, ASP123H, ASP124E, ASP124H, ASP163E, ASP163H, ASP246E, ASP246H, ASP252E, ASP252H, ASP69E, ASP69H, ASP70E, ASP70H, CYS167E, CYS167H, CYS169E, CYS169H, CYS174E, CYS174H, GLN172E, GLN172H, GLN291E, GLN291H, GLU154E, GLU154H, GLU285E, GLU285H, GLY121E, GLY121H, GLY141E, GLY141H, GLY147E, GLY147H, GLY150E, GLY150H, GLY156E, GLY156H, GLY164E, GLY164H, GLY168E, GLY168H, GLY170E, GLY170H, GLY173H, GLY241E, GLY241H, GLY243E, GLY243H, GLY283E, GLY283H, GLY284E, GLY66E, HIS122E, HIS122H, HIS157E, HIS157H, HIS289E, HIS289H, HIS85E, HIS85H, ILE126E, ILE126H, ILE138E, ILE138H, ILE139H, ILE140E, ILE140H, ILE158E, ILE158H, ILE282E, ILE282H, LEU144E, LEU144H, LEU247E, LEU247H, LEU250E, LEU250H, LEU281E, LEU281H, LEU76E, LEU76H, LYS143E, LYS143H, LYS71H, PHE149E, PHE149H, PHE155E, PHE155H, PHE251E, PHE251H, PHE256H, PHE277H, PHE77E, PHE77H, PRO162E, PRO162H, PRO253E, PRO253H, PRO288E, PRO288H, PRO79E, SER171E, SER171H, SER249E, SER249H, SER254E, SER254H, TRP175E, TRP175H, TRP239E, TRP239H, TRP280E, TRP280H, TRP286E, TRP286H, TRP83E, TRP83H, TYR178E, TYR178H, TYR67E, TYR67H, VAL125E, VAL125H, VAL151E, VAL151H, VAL160E, VAL160H, VAL161E, VAL161H, VAL68E, VAL68H, VAL75E, VAL75H
• F-G: ALA183F, ALA183G, ALA194G, ARG159F, ARG182F, ARG182G, ARG186F, ARG186G, ARG238F, ARG238G, ASN193F, ASN193G, ASP163F, ASP163G, CYS167F, CYS167G, CYS169F, GLN172F, GLN172G, GLN177F, GLN177G, GLN190F, GLN190G, GLU235F, GLU235G, GLY164F, GLY164G, GLY170F, GLY170G, GLY173F, GLY173G, LEU165F, LEU165G, LEU166F, LEU166G, LYS189G, PRO162F, PRO162G, SER171F, SER171G, TRP239F, TRP239G, TYR178F, TYR178G, TYR187F, TYR187G, VAL160F, VAL160G, VAL161F, VAL161G