UniProt Q8Y8D7

NAD kinase 1 (Q8Y8D7)

NAD kinase 1 (UniProt Q8Y8D7), EC 2.7.1.23: 130 experimental structures and 1 predicted model on GenesisL1, 56 ligands bound, 57 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.

UniProt: Q8Y8D7
Protein: NAD kinase 1
EC: 2.7.1.23
Experimental structures: 130
Predicted models: 1
Ligands: 56
Pockets: 57 · 28 records with a druggable one

Structures

131 records of Q8Y8D7 in the MolNFT archive: 130 experimental, 1 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
2I1W	Crystal structure of NAD kinase 1 from Listeria monocytogenes	x-ray diffraction	A, B, C, D	—	—
2I1W	Crystal structure of NAD kinase 1 from listeria monocytogenes	x-ray diffraction	A, B, C, D	—	—
2I29	Crystal structure of NAD kinase 1 from Listeria monocytogenes	x-ray diffraction	A	NAD	1 (best 0.30)
2I29	Crystal structure of NAD kinase 1 from listeria monocytogenes	x-ray diffraction	A	—	—
2I2A	Crystal structure of LmNADK1 from Listeria monocytogenes	x-ray diffraction	A	NAP	—
2I2A	Crystal structure of LMNADK1 from listeria monocytogenes	x-ray diffraction	A	—	—
2I2B	Crystal structure of LmNADK1 from Listeria monocytogenes	x-ray diffraction	A	CC5	1 (best 0.56)
2I2B	Crystal structure of LMNADK1 from listeria monocytogenes	x-ray diffraction	A	—	—
2I2C	Crystal structure of LmNADK1	x-ray diffraction	A	DTA	1 (best 0.34)
2I2C	Crystal structure of LMNADK1	x-ray diffraction	A	—	—
2I2D	Crystal structure of LmNADK1	x-ray diffraction	A	A2D	1 (best 0.48)
2I2D	Crystal structure of LMNADK1	x-ray diffraction	A	—	—
2I2F	Crystal structure of LmNADK1	x-ray diffraction	A	PO4, NAD	1 (best 0.30)
2I2F	Crystal structure of LMNADK1	x-ray diffraction	A	—	—
2Q5F	Crystal structure of LMNADK1 from Listeria monocytogenes	x-ray diffraction	A	—	—
2Q5F	Crystal structure of LMNADK1 from listeria monocytogenes	x-ray diffraction	A	—	—
3V7U	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with MTA	x-ray diffraction	A	—	—
3V7U	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with mta	x-ray diffraction	A	—	—
3V7W	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V7W	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V7Y	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V7Y	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V80	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V80	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V8M	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with…	x-ray diffraction	A	—	—
3V8M	Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with…	x-ray diffraction	A	—	—
3V8N	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V8N	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V8P	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a new di-adenosine…	x-ray diffraction	A	—	—
3V8P	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a new di-adenosine…	x-ray diffraction	A	—	—
3V8Q	Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V8Q	Crystal structure of NAD kinase 1 H223E mutant from listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V8R	Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
3V8R	Crystal structure of NAD kinase 1 H223E mutant from listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
4DY6	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 2'-phosphate…	x-ray diffraction	A	—	—
4DY6	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with 2'-phosphate…	x-ray diffraction	A	—	—
5DHP	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor	x-ray diffraction	A, B, C, D	—	—
5DHQ	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor	x-ray diffraction	A, B, C, D	—	—
5DHR	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor	x-ray diffraction	A, B, C, D	—	—
5DHS	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor	x-ray diffraction	A, B, C, D	—	—
5DHT	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor	x-ray diffraction	A, B, C, D	—	—
5DHU	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor	x-ray diffraction	A, B, C, D	5A8	12 (best 0.84)
5DHU	Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor	x-ray diffraction	A, B, C, D	—	—
5EJF	Crystal structure of NAD kinase P101A mutant from Listeria monocytogenes	x-ray diffraction	A, B, C, D	—	—
5EJF	Crystal structure of NAD kinase P101A mutant from listeria monocytogenes	x-ray diffraction	A, B, C, D	—	—
5EJG	Crystal structure of NAD kinase P252D mutant from Listeria monocytogenes	x-ray diffraction	A, B, C, D	—	—
5EJG	Crystal structure of NAD kinase P252D mutant from listeria monocytogenes	x-ray diffraction	A, B, C, D	—	—
5EJH	Crystal structure of NAD kinase V98S mutant from Listeria monocytogenes	x-ray diffraction	A	NAP	—
5EJH	Crystal structure of NAD kinase V98S mutant from listeria monocytogenes	x-ray diffraction	A	—	—
5EJI	Crystal structure of NAD kinase W78F mutant from Listeria monocytogenes in complex with…	x-ray diffraction	A	NAP, MN, POP	1 (best 0.32)
5EJI	Crystal structure of NAD kinase W78F mutant from listeria monocytogenes in complex with…	x-ray diffraction	A	—	—
6RBO	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative	x-ray diffraction	A	JXQ	1 (best 0.40)
6RBO	Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative	x-ray diffraction	A	JXQ	—
6RBP	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative	x-ray diffraction	A	JYN	1 (best 0.37)
6RBP	Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative	x-ray diffraction	A	JYN	—
6RBQ	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative	x-ray diffraction	A	JYQ	—
6RBQ	Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative	x-ray diffraction	A	JYQ	—
6RBR	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative	x-ray diffraction	A	JXN	—
6RBR	Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative	x-ray diffraction	A	JXN	—
6RBS	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative	x-ray diffraction	A	JXT	—

71 records more on the page itself.

Ligands

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 3 records
JXB · 9-(4-azidobutyl)-8-bromanyl-purin-6-amine · in 2 records
JXE · 8-bromanyl-9-(4-bromanylbutyl)purin-6-amine · in 2 records
JXH · 8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine · in 2 records
JXK · 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine · in 2 records
JXN · 8-bromanyl-9-ethyl-purin-6-amine · in 2 records
JXQ · 9-hex-5-ynylpurin-6-amine · in 2 records
JXT · 8-bromanyl-9-pent-4-ynyl-purin-6-amine · in 2 records
JXW · 9-(2-chloroethyl)-8-methyl-purin-6-amine · in 2 records
JXZ · 2-(6-azanyl-8-methyl-purin-9-yl)ethanol · in 2 records
JY2 · 8-methyl-9-pent-4-ynyl-purin-6-amine · in 2 records
JY5 · 3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol · in 2 records
JY8 · 9-ethyl-8-methyl-purin-6-amine · in 2 records
JYB · 9-ethyl-8-ethynyl-purin-6-amine · in 2 records
JYE · 9-(3-azidopropyl)-8-bromanyl-purin-6-amine · in 2 records
JYK · 9-(2-azidoethyl)-8-bromanyl-purin-6-amine · in 2 records
JYN · 9-(4-azidobutyl)purin-6-amine · in 2 records
JYQ · ~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate · in 2 records
JYT · 3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol · in 2 records
JYW · 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol · in 2 records
K1Z · [(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S}, 4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl) oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate · in 2 records
K28 · [(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S}, 4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl) oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate · in 2 records
K2H · (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol · in 2 records
K2K · (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol · in 2 records
K2W · (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol · in 2 records
K38 · (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol · in 2 records
K3B · (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol · in 2 records
K3E · (2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol · in 2 records
K3H · (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol · in 2 records
K3K · (2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R}, 5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol · in 2 records

Experiment against prediction

2I1W chain C against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.69 Å
2I1W chain C against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.69 Å
3V7Y chain A against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.69 Å
3V7Y chain A against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.69 Å
5EJF chain C against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.70 Å
6RC1 chain A against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.71 Å
2I2D chain A against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.71 Å
2I2D chain A against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.71 Å
4DY6 chain A against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.71 Å
6RBY chain A against the predicted model Q8Y8D7: TM-score 0.99, RMSD 0.72 Å

Elsewhere

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