UniProt Q9NWZ3

interleukin-1 receptor-associated kinase 4 (Q9NWZ3)

interleukin-1 receptor-associated kinase 4 (UniProt Q9NWZ3), EC 2.7.11.1: 146 experimental structures and 1 predicted model on GenesisL1, 80 ligands bound, 743 pockets. Binding sites, druggability and experiment against…

UniProt: Q9NWZ3
Protein: interleukin-1 receptor-associated kinase 4
EC: 2.7.11.1
Experimental structures: 146
Predicted models: 1
Ligands: 80
Pockets: 743 · 78 records with a druggable one

Structures

147 records of Q9NWZ3 in the MolNFT archive: 146 experimental, 1 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
2NRU	Crystal structure of IRAK-4	x-ray diffraction	A, B, C, D	SO4, T12	18 (best 0.87)
2NRU	Crystal structure of irak-4	x-ray diffraction	A, B, C, D	—	—
2NRY	Crystal structure of IRAK-4	x-ray diffraction	A, B, C, D	STU	9 (best 0.74)
2NRY	Crystal structure of irak-4	x-ray diffraction	A, B, C, D	—	—
2O8Y	Apo IRAK4 Kinase Domain	x-ray diffraction	A, B	—	5 (best 0.69)
2O8Y	Apo IRAK4 kinase domain	x-ray diffraction	A, B	—	—
2OIB	Crystal structure of IRAK4 kinase domain apo form	x-ray diffraction	A, B, C, D	—	18 (best 0.81)
2OIB	Crystal structure of IRAK4 kinase domain apo form	x-ray diffraction	A, B, C, D	—	—
2OIC	Crystal structure of IRAK4 kinase domain complexed with staurosporine	x-ray diffraction	A, B, C, D	STU	13 (best 0.87)
2OIC	Crystal structure of IRAK4 kinase domain complexed with staurosporine	x-ray diffraction	A, B, C, D	—	—
2OID	Crystal structure of IRAK4 kinase domain complexed with AMPPNP	x-ray diffraction	A, B, C, D	ANP	13 (best 0.84)
2OID	Crystal structure of IRAK4 kinase domain complexed with amppnp	x-ray diffraction	A, B, C, D	—	—
3MOP	The ternary Death Domain complex of MyD88, IRAK4, and IRAK2	x-ray diffraction	G, H, I, J	—	12 (best 0.89)
3MOP	The ternary death domain complex of MYD88, IRAK4, and IRAK2	x-ray diffraction	G, H, I, J	—	—
4RMZ	Crystal Structure of IRAK-4	x-ray diffraction	A, B	T20	3 (best 0.80)
4RMZ	Crystal structure of irak-4	x-ray diffraction	A, B	—	—
4U97	Crystal Structure of Asymmetric IRAK4 Dimer	x-ray diffraction	A, B	STU, SO4	6 (best 0.70)
4U97	Crystal structure of asymmetric IRAK4 dimer	x-ray diffraction	A, B	—	—
4U9A	Sulphur Anomalous Crystal Structure of Asymmetric IRAK4 Dimer	x-ray diffraction	A, B	STU, SO4	10 (best 0.71)
4U9A	Sulphur anomalous crystal structure of asymmetric IRAK4 dimer	x-ray diffraction	A, B	—	—
4XS2	Irak4-inhibitor co-structure	x-ray diffraction	A, B, C, D	42P	18 (best 0.83)
4XS2	IRAK4-inhibitor co-structure	x-ray diffraction	A, B, C, D	—	—
4Y73	Crystal structure of IRAK4 kinase domain with inhibitor	x-ray diffraction	A, B, C, D	XPY	13 (best 0.83)
4Y73	Crystal structure of IRAK4 kinase domain with inhibitor	x-ray diffraction	A, B, C, D	—	—
4YO6	Irak4-inhibitor co-structure	x-ray diffraction	A, B, C, D	4GD	17 (best 0.80)
4YO6	IRAK4-inhibitor co-structure	x-ray diffraction	A, B, C, D	—	—
4YP8	Irak4-inhibitor co-structure	x-ray diffraction	A, B, C, D	4GF	14 (best 0.87)
4YP8	IRAK4-inhibitor co-structure	x-ray diffraction	A, B, C, D	—	—
4ZTL	Irak4-inhibitor co-structure	x-ray diffraction	A, B, C, D	4S1	14 (best 0.81)
4ZTL	IRAK4-inhibitor co-structure	x-ray diffraction	A, B, C, D	—	—
4ZTM	Irak4-inhibitor co-structure	x-ray diffraction	A, B, C, D	4S2	17 (best 0.81)
4ZTM	IRAK4-inhibitor co-structure	x-ray diffraction	A, B, C, D	—	—
4ZTN	Irak4-inhibitor co-structure	x-ray diffraction	A, B, C, D	4S3	12 (best 0.85)
4ZTN	IRAK4-inhibitor co-structure	x-ray diffraction	A, B, C, D	—	—
5K72	IRAK4 in complex with Compound 21	x-ray diffraction	A, B, C, D	SO4, 6QY	15 (best 0.85)
5K72	IRAK4 in complex with compound 21	x-ray diffraction	A, B, C, D	SO4, 6QY	—
5K75	IRAK4 in complex with Compound 1	x-ray diffraction	A, B, C, D	6QX, SO4	16 (best 0.82)
5K75	IRAK4 in complex with compound 1	x-ray diffraction	A, B, C, D	6QX, SO4	—
5K76	IRAK4 in complex with Compound 28	x-ray diffraction	A, B	6R1	5 (best 0.73)
5K76	IRAK4 in complex with compound 28	x-ray diffraction	A, B	6R1	—
5K7G	IRAK4 in complex with AZ3862	x-ray diffraction	A, B, C, D	SO4, 6R0	11 (best 0.85)
5K7G	IRAK4 in complex with AZ3862	x-ray diffraction	A, B, C, D	SO4, 6R0	—
5K7I	IRAK4 in complex with AZ3864	x-ray diffraction	A, B	6QZ, SO4	5 (best 0.71)
5K7I	IRAK4 in complex with AZ3864	x-ray diffraction	A, B	6QZ, SO4	—
5KX7	Irak4-inhibitor co-structure	x-ray diffraction	A, B	6YD	6 (best 0.70)
5KX7	IRAK4-inhibitor co-structure	x-ray diffraction	A, B	6YD	—
5KX8	Irak4-inhibitor co-structure	x-ray diffraction	A, B, C, D	6YE	13 (best 0.82)
5KX8	IRAK4-inhibitor co-structure	x-ray diffraction	A, B, C, D	6YE	—
5T1S	IRAK4 kinase - compound 1 co-structure	x-ray diffraction	A, B, C, D	76Q	—
5T1T	Irak4 kinase - compound 1 co-structure	x-ray diffraction	A, B, C, D	76P	14 (best 0.84)
5T1T	IRAK4 kinase - compound 1 co-structure	x-ray diffraction	A, B, C, D	76P	—
5UIQ	Crystal structure of IRAK4 in complex with compound 9	x-ray diffraction	A, B, C, D	8BV	16 (best 0.79)
5UIQ	Crystal structure of IRAK4 in complex with compound 9	x-ray diffraction	A, B, C, D	8BV	—
5UIR	Crystal structure of IRAK4 in complex with compound 11	x-ray diffraction	A, B	8BY	4 (best 0.79)
5UIR	Crystal structure of IRAK4 in complex with compound 11	x-ray diffraction	A, B	8BY	—
5UIS	Crystal structure of IRAK4 in complex with compound 12	x-ray diffraction	A, B, C, D	8C1	14 (best 0.80)
5UIS	Crystal structure of IRAK4 in complex with compound 12	x-ray diffraction	A, B, C, D	8C1	—
5UIT	Crystal structure of IRAK4 in complex with compound 14	x-ray diffraction	A, B	8CD	4 (best 0.83)
5UIT	Crystal structure of IRAK4 in complex with compound 14	x-ray diffraction	A, B	8CD	—
5UIU	Crystal structure of IRAK4 in complex with compound 30	x-ray diffraction	A, B	8CG	3 (best 0.82)

87 records more on the page itself.

Ligands

SO4 · Sulfate ion · in 41 records
CO · Cobalt (II) ion · in 4 records
STU · Staurosporine · in 4 records
8CG · 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide · in 3 records
ANP · Phosphoaminophosphonic acid-adenylate ester · in 3 records
0LI · 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}benzamide · in 2 records
6QX · ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine · in 2 records
6QY · ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine · in 2 records
6QZ · (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one · in 2 records
6R0 · (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one · in 2 records
6R1 · ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine · in 2 records
6YD · ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide · in 2 records
6YE · ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide · in 2 records
76P · ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine · in 2 records
8BV · 2-[(propan-2-yl)oxy]benzamide · in 2 records
8BY · 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide · in 2 records
8C1 · 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl) oxy]quinoline-7-carboxamide · in 2 records
8CD · 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide · in 2 records
9YS · 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide · in 2 records
9YY · 4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl) amino]pyridine-3-carboxamide · in 2 records
B4U · 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl) amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one · in 2 records
B6I · 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one · in 2 records
B7R · 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one · in 2 records
B8I · methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate · in 2 records
CA · Calcium ion · in 2 records
CJN · ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine · in 2 records
CJQ · 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9, 11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide · in 2 records
CJT · 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide · in 2 records
CKN · (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl) cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide · in 2 records
CL · Chloride ion · in 2 records

Experiment against prediction

8BR5 chain CCC against the predicted model Q9NWZ3: TM-score 1.00, RMSD 0.44 Å
5UIS chain D against the predicted model Q9NWZ3: TM-score 1.00, RMSD 0.41 Å
5UIR chain A against the predicted model Q9NWZ3: TM-score 0.99, RMSD 0.45 Å
5UIS chain C against the predicted model Q9NWZ3: TM-score 0.99, RMSD 0.46 Å
6LXY chain E against the predicted model Q9NWZ3: TM-score 0.99, RMSD 0.49 Å
8UCC chain B against the predicted model Q9NWZ3: TM-score 0.99, RMSD 0.48 Å
8TX0 chain A against the predicted model Q9NWZ3: TM-score 0.99, RMSD 0.49 Å
4Y73 chain C against the predicted model Q9NWZ3: TM-score 0.99, RMSD 0.50 Å
5UIS chain B against the predicted model Q9NWZ3: TM-score 0.99, RMSD 0.49 Å
5KX8 chain C against the predicted model Q9NWZ3: TM-score 0.99, RMSD 0.49 Å

Elsewhere

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