2QL6

human nicotinamide riboside kinase (nrk1)

• Total interactions analyzed: 120
• Total true interactions: 21
• Strongest Interaction:
  • Chains: G-O
  • Int. Res.: 46
  • Norm. En. per Res.: -3.2008
• 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	-11.6955	1.7009	-85.2571	-95.2516	65	12	0	4502	2	27	24
A-C	-9.7994	-16.2298	-63.798	-89.8272	49	15	0	3925	1	18	23
A-E	-47.7837	-48.6164	-145.312	-241.7121	105	6	5	7605	2	35	50
A-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	1
C-F	-47.7723	-26.8245	-124.637	-199.2339	102	4	6	7015	2	36	51
C-H	-4.2222	10.592	-48.0086	-41.6388	47	0	0	2326	2	24	22
D-F	-20.514	2.7275	-65.9104	-83.6969	65	23	0	4794	2	26	23
E-H	0.0	1.1945	0.0	1.1945	2	0	0	0	0	2	3
G-H	-68.4987	-43.2714	-132.824	-244.5942	102	13	6	7456	2	34	50
G-O	-6.2312	-62.2557	-78.7503	-147.2372	46	3	2	3710	3	21	18
G-P	0.0	22.9497	-0.9846	21.9651	8	0	0	183	0	6	10
H-O	0.0	32.6917	-2.3137	30.378	12	0	0	313	0	11	12
H-P	-7.5872	-56.8417	-78.9264	-143.3553	48	5	2	3738	4	21	17
I-J	-16.4092	-35.6948	-52.5676	-104.6717	66	27	0	4883	4	30	26
I-K	-16.0887	-12.5157	-59.8978	-88.5021	49	11	0	3662	1	18	21
I-M	-72.375	-50.8534	-146.088	-269.3164	106	8	5	7902	2	37	50
I-O	0.0	0.0	-0.4315	-0.4315	12	0	0	89	0	7	2
K-N	-55.1136	-48.2295	-135.571	-238.914	100	5	6	7325	3	36	49
K-P	-5.3181	-7.3633	-93.0046	-105.686	62	20	0	4463	2	29	27
L-N	-13.5005	-32.1235	-73.0994	-118.7233	65	14	0	4574	4	27	24
O-P	-69.1842	-49.5388	-150.29	-269.0129	107	7	6	7938	3	36	50

Interface residues

• A-B: ALA60B, ALA69B, ALA77A, ARG78A, ARG78B, ASN104A, ASN104B, ASN113A, ASN62B, ASP109A, ASP109B, ASP160A, ASP160B, CYS72A, CYS72B, GLN156B, GLN159B, GLU157B, GLU44B, GLU59A, GLU59B, GLU64A, GLU64B, GLU75A, GLU75B, HIS79A, HIS79B, ILE111A, ILE111B, ILE161B, ILE5A, ILE70A, ILE70B, LEU108A, LEU108B, LEU58A, LEU58B, LEU61A, LEU61B, LYS106A, LYS106B, LYS2A, LYS40B, LYS65A, LYS65B, PRO107A, PRO107B, SER68A, SER68B, SER71A, SER71B, SER76A, SER76B, THR110A, THR110B, THR162A, THR162B, THR3A, TRP112A, TRP112B, TRP163A, TRP73A, TYR105A, TYR105B, VAL57B
• A-C: ARG155A, ASN50A, ASN50C, ASP144A, ASP144C, ASP48A, ASP48C, GLN156A, GLN156C, GLN159A, GLN54A, GLU123A, GLU123C, GLU124A, GLY141A, GLY141C, GLY145A, GLY145C, GLY51A, GLY51C, HIS146A, HIS146C, LEU152A, LEU152C, LYS126A, LYS126C, LYS153A, LYS153C, LYS49A, LYS49C, PHE143A, PHE143C, PHE52A, PHE52C, PRO121A, PRO140C, PRO149A, PRO149C, SER139C, THR119A, TRP148A, TRP148C, TYR122A, TYR122C, TYR142A, TYR142C, TYR151A, TYR151C, VAL147A
• A-E: ALA69A, ALA69E, ARG127A, ARG127E, ARG128A, ARG128E, ARG129A, ARG129E, ARG132A, ARG132E, ASN13A, ASN13E, ASN22A, ASN22E, ASN29A, ASN29E, ASN62A, ASN62E, ASP36A, ASP36E, ASP37A, ASP37E, CYS30A, CYS30E, CYS72A, CYS72E, GLN135A, GLN135E, GLN24A, GLN24E, GLN35A, GLU174A, GLU174E, GLU175A, GLU175E, GLU42A, GLU42E, GLU44A, GLU44E, GLU64E, GLY15A, GLY15E, HIS26A, HIS26E, ILE33A, ILE33E, ILE70A, ILE70E, ILE94E, ILE96A, ILE96E, ILE97A, ILE97E, LEU27A, LEU27E, LEU95A, LEU95E, LYS172A, LYS21A, LYS21E, LYS25A, LYS25E, LYS40A, LYS40E, LYS65A, LYS65E, PHE38A, PHE38E, PHE39A, PHE39E, PRO136A, PRO136E, PRO137A, PRO137E, PRO28A, PRO28E, PRO41A, PRO41E, SER130A, SER130E, SER173A, SER173E, SER31A, SER31E, SER34A, SER34E, SER43A, SER43E, SER68A, SER68E, SER71E, THR131A, THR131E, THR17A, THR17E, THR18A, THR18E, TRP73A, TRP73E, TYR134A, TYR134E, VAL133A, VAL133E, VAL32A, VAL32E
• A-G: PRO140A, PRO140G
• C-F: ALA69C, ALA69F, ARG127C, ARG127F, ARG128C, ARG128F, ARG129C, ARG129F, ARG132C, ARG132F, ASN13C, ASN13F, ASN22C, ASN22F, ASN29C, ASN29F, ASN62C, ASN62F, ASP36C, ASP36F, ASP37C, ASP37F, CYS30C, CYS30F, CYS72C, CYS72F, GLN135C, GLN135F, GLN24C, GLN24F, GLU174C, GLU174F, GLU175C, GLU175F, GLU42C, GLU42F, GLU44C, GLU44F, GLY15C, GLY15F, HIS26C, HIS26F, ILE33C, ILE33F, ILE70C, ILE70F, ILE94F, ILE96C, ILE96F, ILE97F, LEU27C, LEU27F, LEU95C, LEU95F, LYS172C, LYS172F, LYS21C, LYS21F, LYS25C, LYS25F, LYS40C, LYS40F, LYS65C, LYS65F, PHE38C, PHE38F, PHE39C, PHE39F, PRO136C, PRO136F, PRO137C, PRO137F, PRO28C, PRO28F, PRO41C, PRO41F, SER130C, SER130F, SER173C, SER173F, SER31C, SER31F, SER34C, SER34F, SER43C, SER43F, SER68C, SER68F, THR131C, THR131F, THR17C, THR17F, THR18C, THR18F, TRP73C, TRP73F, TYR134C, TYR134F, VAL133C, VAL133F, VAL32C, VAL32F
• C-H: ALA60C, ALA69C, ARG78C, ARG78H, ASN104H, ASN62C, ASP109C, ASP109H, ASP160C, ASP160H, CYS72C, GLU44C, GLU46C, GLU59C, GLU59H, GLU64C, GLU64H, GLU75C, GLU75H, ILE111C, ILE111H, ILE70C, ILE70H, LEU108C, LEU108H, LEU58C, LEU58H, LEU61C, LEU61H, LYS106C, LYS106H, LYS2H, LYS40C, LYS65C, LYS65H, PRO107C, PRO107H, SER68C, SER68H, SER71C, SER71H, THR110C, THR110H, THR162C, THR162H, TYR105C, TYR105H
• D-F: ALA60F, ALA69F, ALA77D, ARG78D, ARG78F, ASN104D, ASN104F, ASN113D, ASN62F, ASP109D, ASP109F, ASP160D, ASP160F, CYS72D, CYS72F, GLN156F, GLN159F, GLU157F, GLU59D, GLU59F, GLU64D, GLU64F, GLU75D, GLU75F, HIS79D, HIS79F, ILE111D, ILE111F, ILE161F, ILE5D, ILE70D, ILE70F, LEU108D, LEU108F, LEU58D, LEU58F, LEU61D, LEU61F, LYS106D, LYS106F, LYS2D, LYS40F, LYS65D, LYS65F, PRO107D, PRO107F, SER68D, SER68F, SER71D, SER71F, SER76D, SER76F, THR110D, THR110F, THR162D, THR162F, THR3D, TRP112D, TRP112F, TRP163D, TRP163F, TRP73D, TYR105D, TYR105F, VAL57F
• E-H: HIS79E, HIS79H
• G-H: ALA69G, ALA69H, ARG127G, ARG127H, ARG128G, ARG128H, ARG129G, ARG129H, ARG132G, ARG132H, ASN13G, ASN13H, ASN22G, ASN22H, ASN29G, ASN29H, ASN62G, ASN62H, ASP36G, ASP36H, ASP37G, ASP37H, CYS30G, CYS30H, CYS72G, CYS72H, GLN135G, GLN135H, GLN24G, GLN24H, GLU174G, GLU174H, GLU175G, GLU175H, GLU42G, GLU42H, GLU44G, GLU44H, GLY15H, HIS26G, HIS26H, ILE33G, ILE33H, ILE70G, ILE70H, ILE94H, ILE96G, ILE96H, ILE97G, ILE97H, LEU27G, LEU27H, LEU95G, LEU95H, LYS172G, LYS172H, LYS21G, LYS21H, LYS25G, LYS25H, LYS40G, LYS40H, LYS65G, LYS65H, PHE38G, PHE38H, PHE39G, PHE39H, PRO136G, PRO136H, PRO137G, PRO137H, PRO28G, PRO28H, PRO41G, PRO41H, SER130G, SER130H, SER173G, SER173H, SER31G, SER31H, SER34G, SER34H, SER43G, SER43H, SER68G, SER68H, THR131G, THR131H, THR17G, THR17H, THR18G, THR18H, TRP73G, TRP73H, TYR134G, TYR134H, VAL133G, VAL133H, VAL32G, VAL32H
• G-O: ALA190G, ALA190O, ASN22G, ASN22O, ASP176G, ASP176O, ASP184G, ASP184O, GLN180G, GLN180O, GLN187G, GLN187O, GLU174O, GLU175G, GLU175O, GLU183G, GLU183O, GLU188G, GLU188O, HIS26G, HIS26O, ILE186G, ILE186O, LEU177O, LEU179G, LEU179O, LEU185O, LEU189G, LEU189O, LEU23G, LEU27G, LEU27O, LYS172O, LYS191G, LYS191O, LYS25G, LYS25O, PHE178G, PHE178O, PRO28G, PRO28O, SER173G, SER173O, TYR182G, TYR182O, VAL181O
• G-P: ASP176G, ASP176P, GLU174G, GLU174P, GLU175G, GLU175P, SER173G, SER173P
• H-O: ASP176H, ASP176O, GLU174H, GLU174O, GLU175H, GLU175O, LYS172H, LYS172O, SER173H, SER173O, THR171H, THR171O
• H-P: ALA190H, ALA190P, ASN22H, ASN22P, ASP176H, ASP176P, ASP184H, ASP184P, GLN180H, GLN180P, GLN187H, GLN187P, GLN192H, GLN192P, GLU175H, GLU175P, GLU183H, GLU183P, GLU188H, GLU188P, HIS26H, HIS26P, ILE186H, ILE186P, LEU177H, LEU179H, LEU179P, LEU185H, LEU185P, LEU189H, LEU189P, LEU23P, LEU27H, LEU27P, LYS172H, LYS191H, LYS191P, LYS25H, LYS25P, PHE178H, PHE178P, PRO28H, PRO28P, SER173H, SER173P, TYR182H, TYR182P, VAL181H
• I-J: ALA60J, ALA69J, ALA77I, ARG78I, ARG78J, ASN104I, ASN104J, ASN113I, ASN62I, ASN62J, ASP109I, ASP109J, ASP160I, ASP160J, CYS72I, CYS72J, GLN156J, GLN159J, GLU157J, GLU44J, GLU46J, GLU59I, GLU59J, GLU64I, GLU64J, GLU75I, GLU75J, HIS79I, ILE111I, ILE111J, ILE161J, ILE5I, ILE70I, ILE70J, LEU108I, LEU108J, LEU58I, LEU58J, LEU61I, LEU61J, LYS106I, LYS106J, LYS2I, LYS40I, LYS40J, LYS65I, LYS65J, PRO107I, PRO107J, SER68I, SER68J, SER71I, SER71J, SER76I, THR110I, THR110J, THR162I, THR162J, THR3I, TRP112I, TRP163I, TRP163J, TRP73I, TYR105I, TYR105J, VAL57J
• I-K: ARG155I, ASN50I, ASN50K, ASP144I, ASP144K, ASP48I, ASP48K, GLN156I, GLN156K, GLN159I, GLN54I, GLU123I, GLU123K, GLU124I, GLY141I, GLY141K, GLY145I, GLY145K, GLY51I, GLY51K, HIS146I, HIS146K, LEU152I, LEU152K, LYS126I, LYS126K, LYS153I, LYS153K, LYS49I, LYS49K, PHE143I, PHE143K, PHE52I, PHE52K, PRO121I, PRO140K, PRO149I, PRO149K, SER139K, THR119I, TRP148I, TRP148K, TYR122I, TYR122K, TYR142I, TYR142K, TYR151I, TYR151K, VAL147I
• I-M: ALA69I, ALA69M, ARG127I, ARG127M, ARG128I, ARG128M, ARG129I, ARG129M, ARG132I, ARG132M, ASN13I, ASN13M, ASN22I, ASN22M, ASN29I, ASN29M, ASN62I, ASN62M, ASP36I, ASP36M, ASP37I, ASP37M, CYS30I, CYS30M, CYS72I, CYS72M, GLN135I, GLN135M, GLN24I, GLN24M, GLN35M, GLU174I, GLU174M, GLU175I, GLU175M, GLU42I, GLU42M, GLU44I, GLU44M, GLU64M, GLY15I, GLY15M, HIS26I, HIS26M, ILE33I, ILE33M, ILE70I, ILE70M, ILE94I, ILE94M, ILE96I, ILE96M, ILE97I, ILE97M, LEU27I, LEU27M, LEU95I, LEU95M, LYS172I, LYS21I, LYS21M, LYS25I, LYS25M, LYS40I, LYS40M, LYS65I, LYS65M, PHE38I, PHE38M, PHE39I, PHE39M, PRO136I, PRO136M, PRO137I, PRO137M, PRO28I, PRO28M, PRO41I, PRO41M, SER130I, SER130M, SER173I, SER173M, SER31I, SER31M, SER34I, SER34M, SER43I, SER43M, SER68I, SER68M, SER71M, THR131I, THR131M, THR17I, THR17M, THR18I, THR18M, TRP73I, TRP73M, TYR134I, TYR134M, VAL133I, VAL133M, VAL32I, VAL32M
• I-O: ASN50I, ASP48O, GLU46O, GLY51I, GLY51O, LYS49I, LYS49O, PRO140I, PRO140O, SER139I, THR47I, THR47O
• K-N: ALA69K, ALA69N, ARG127K, ARG127N, ARG128K, ARG128N, ARG129K, ARG129N, ARG132K, ARG132N, ASN13K, ASN13N, ASN22K, ASN22N, ASN29K, ASN29N, ASN62K, ASN62N, ASP36K, ASP36N, ASP37K, ASP37N, CYS30K, CYS30N, CYS72K, CYS72N, GLN135K, GLN135N, GLN24K, GLN24N, GLU174K, GLU174N, GLU175K, GLU175N, GLU42K, GLU42N, GLU44K, GLU44N, GLU64K, GLU64N, HIS26K, HIS26N, ILE33K, ILE33N, ILE70K, ILE70N, ILE96K, ILE96N, ILE97K, ILE97N, LEU27K, LEU27N, LEU95K, LEU95N, LYS21K, LYS21N, LYS25K, LYS25N, LYS40K, LYS40N, LYS65K, LYS65N, PHE38K, PHE38N, PHE39K, PHE39N, PRO136K, PRO136N, PRO137K, PRO137N, PRO28K, PRO28N, PRO41K, PRO41N, SER130K, SER130N, SER173K, SER173N, SER31K, SER31N, SER34K, SER34N, SER43K, SER43N, SER68K, SER68N, THR131K, THR131N, THR17K, THR17N, THR18K, THR18N, TRP73K, TRP73N, TYR134K, TYR134N, VAL133K, VAL133N, VAL32K, VAL32N
• K-P: ALA60K, ALA69K, ALA77P, ARG78K, ARG78P, ASN104K, ASN104P, ASN62K, ASN62P, ASP109K, ASP109P, ASP160K, ASP160P, CYS72K, CYS72P, GLN159K, GLU157K, GLU44K, GLU46K, GLU59K, GLU59P, GLU64K, GLU64P, GLU75K, GLU75P, HIS79P, ILE111K, ILE111P, ILE161K, ILE70K, ILE70P, LEU108K, LEU108P, LEU58K, LEU58P, LEU61K, LEU61P, LYS106K, LYS106P, LYS153K, LYS2P, LYS40K, LYS40P, LYS65K, LYS65P, PRO107K, PRO107P, SER68K, SER68P, SER71K, SER71P, SER76P, THR110K, THR110P, THR162K, THR162P, TRP112P, TRP163P, TRP73P, TYR105K, TYR105P, VAL57K
• L-N: ALA60N, ALA69N, ALA77L, ARG78L, ARG78N, ASN104L, ASN104N, ASN113L, ASN62L, ASN62N, ASP109L, ASP109N, ASP160L, ASP160N, CYS72L, CYS72N, GLN156N, GLN159N, GLU157N, GLU44N, GLU46N, GLU59L, GLU59N, GLU64L, GLU64N, GLU75L, GLU75N, HIS79L, ILE111L, ILE111N, ILE161N, ILE5L, ILE70L, ILE70N, LEU108L, LEU108N, LEU58L, LEU58N, LEU61L, LEU61N, LYS106L, LYS106N, LYS2L, LYS40L, LYS40N, LYS65L, LYS65N, PRO107L, PRO107N, SER68L, SER68N, SER71L, SER71N, SER76L, THR110L, THR110N, THR162L, THR162N, THR3L, TRP112L, TRP163L, TRP73L, TYR105L, TYR105N, VAL57N
• O-P: ALA69O, ALA69P, ARG127O, ARG127P, ARG128O, ARG128P, ARG129O, ARG129P, ARG132O, ARG132P, ASN13O, ASN13P, ASN22O, ASN22P, ASN29O, ASN29P, ASN62O, ASN62P, ASP36O, ASP36P, ASP37O, ASP37P, CYS30O, CYS30P, CYS72O, CYS72P, GLN135O, GLN135P, GLN24O, GLN24P, GLU174O, GLU174P, GLU175O, GLU175P, GLU42O, GLU42P, GLU44O, GLU44P, GLU64O, GLY15O, GLY15P, HIS26O, HIS26P, ILE33O, ILE33P, ILE70O, ILE70P, ILE94O, ILE94P, ILE96O, ILE96P, ILE97O, ILE97P, LEU27O, LEU27P, LEU95O, LEU95P, LYS172O, LYS172P, LYS21O, LYS21P, LYS25O, LYS25P, LYS40O, LYS40P, LYS65O, LYS65P, PHE38O, PHE38P, PHE39O, PHE39P, PRO136O, PRO136P, PRO137O, PRO137P, PRO28O, PRO28P, PRO41O, PRO41P, SER130O, SER130P, SER173O, SER173P, SER31O, SER31P, SER34O, SER34P, SER43O, SER43P, SER68O, SER68P, SER71O, SER76O, THR131O, THR131P, THR17O, THR17P, THR18O, THR18P, TRP73O, TRP73P, TYR134O, TYR134P, VAL133O, VAL133P, VAL32O, VAL32P