UniProt Q8TF76
Serine/threonine-protein kinase haspin (Q8TF76)
Serine/threonine-protein kinase haspin (UniProt Q8TF76), EC 2.7.11.1: 67 experimental structures and 1 predicted model on GenesisL1, 33 ligands bound, 43 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q8TF76
- Protein
- Serine/threonine-protein kinase haspin
- EC
- 2.7.11.1
- Experimental structures
- 67
- Predicted models
- 1
- Ligands
- 33
- Pockets
- 43 · 25 records with a druggable one
Structures
68 records of Q8TF76 in the MolNFT archive: 67 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2VUW | Structure of human haspin kinase domain | x-ray diffraction | A | — | — |
| 2VUW | Structure of human haspin kinase domain | x-ray diffraction | A | — | — |
| 2WB8 | Crystal structure of Haspin kinase | x-ray diffraction | A | — | — |
| 2WB8 | Crystal structure of haspin kinase | x-ray diffraction | A | — | — |
| 3DLZ | Crystal structure of human haspin in complex with AMP | x-ray diffraction | A | — | — |
| 3DLZ | Crystal structure of human haspin in complex with AMP | x-ray diffraction | A | — | — |
| 3E7V | Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand | x-ray diffraction | A | — | — |
| 3E7V | Crystal structure of human haspin with a pyrazolo-pyrimidine ligand | x-ray diffraction | A | — | — |
| 3F2N | Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand | x-ray diffraction | A | — | — |
| 3F2N | Crystal structure of human haspin with an imidazo-pyridazine ligand | x-ray diffraction | A | — | — |
| 3FMD | Crystal Structure of Human Haspin with an Isoquinoline ligand | x-ray diffraction | A | — | — |
| 3FMD | Crystal structure of human haspin with an isoquinoline ligand | x-ray diffraction | A | — | — |
| 3IQ7 | Crystal Structure of human Haspin in complex with 5-Iodotubercidin | x-ray diffraction | A | — | — |
| 3IQ7 | Crystal structure of human haspin in complex with 5-iodotubercidin | x-ray diffraction | A | — | — |
| 4OUC | Structure of human haspin in complex with histone H3 substrate | x-ray diffraction | A | — | — |
| 4OUC | Structure of human haspin in complex with histone H3 substrate | x-ray diffraction | A | — | — |
| 4QTC | Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I binding mode | x-ray diffraction | A | — | — |
| 4QTC | Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I binding mode | x-ray diffraction | A | — | — |
| 5HTB | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3353 | x-ray diffraction | A | NA, 6L5 | 2 (best 0.76) |
| 5HTB | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor arc-3353 | x-ray diffraction | A | — | — |
| 5HTC | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372 | x-ray diffraction | A | NA, 66M | — |
| 5HTC | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor arc-3372 | x-ray diffraction | A | — | — |
| 6G34 | Crystal structure of haspin in complex with 5-iodotubercidin | x-ray diffraction | A | 5ID, IOD, PO4 | 1 (best 0.71) |
| 6G34 | Crystal structure of haspin in complex with 5-iodotubercidin | x-ray diffraction | A | 5ID, IOD, PO4 | — |
| 6G35 | Crystal structure of haspin in complex with 5-bromotubercidin | x-ray diffraction | A | NA, EKK, BR, CO | 2 (best 0.70) |
| 6G35 | Crystal structure of haspin in complex with 5-bromotubercidin | x-ray diffraction | A | NA, EKK, BR, CO | — |
| 6G36 | Crystal structure of haspin in complex with 5-chlorotubercidin | x-ray diffraction | A | EKH, PO4, CO, NA | — |
| 6G36 | Crystal structure of haspin in complex with 5-chlorotubercidin | x-ray diffraction | A | EKH, PO4, CO, NA | — |
| 6G37 | Crystal structure of haspin in complex with 5-fluorotubercidin | x-ray diffraction | A | PO4, FTU | 2 (best 0.74) |
| 6G37 | Crystal structure of haspin in complex with 5-fluorotubercidin | x-ray diffraction | A | PO4, FTU | — |
| 6G38 | Crystal structure of haspin in complex with tubercidin | x-ray diffraction | A | TBN, PO4 | 1 (best 0.73) |
| 6G38 | Crystal structure of haspin in complex with tubercidin | x-ray diffraction | A | TBN, PO4 | — |
| 6G39 | Crystal structure of haspin F605Y mutant in complex with 5-iodotubercidin | x-ray diffraction | A | NA, 5ID, IOD | 1 (best 0.71) |
| 6G39 | Crystal structure of haspin F605Y mutant in complex with 5- iodotubercidin | x-ray diffraction | A | NA, 5ID, IOD | — |
| 6G3A | Crystal structure of haspin F605T mutant in complex with 5-iodotubercidin | x-ray diffraction | A | IOD, 5ID, PO4 | — |
| 6G3A | Crystal structure of haspin F605T mutant in complex with 5- iodotubercidin | x-ray diffraction | A | IOD, 5ID, PO4 | — |
| 6Z56 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003208 | x-ray diffraction | A | Q7Q | 2 (best 0.72) |
| 6Z56 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003208 | x-ray diffraction | A | Q7Q | — |
| 6Z57 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078 | x-ray diffraction | A | Q8W, NA | 1 (best 0.68) |
| 6Z57 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078 | x-ray diffraction | A | Q8W, NA | — |
| 6Z58 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791 | x-ray diffraction | A | Q9B, NA | 1 (best 0.75) |
| 6Z58 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791 | x-ray diffraction | A | Q9B, NA | — |
| 6Z59 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003816 | x-ray diffraction | A | Q98, NA | 1 (best 0.72) |
| 6Z59 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003816 | x-ray diffraction | A | Q98, NA | — |
| 6Z5A | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2002941 | x-ray diffraction | A | PO4, ZN, NA, Q8B | 3 (best 0.74) |
| 6Z5A | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2002941 | x-ray diffraction | A | PO4, ZN, NA, Q8B | — |
| 6Z5B | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128 | x-ray diffraction | A | Q7Z | 2 (best 0.72) |
| 6Z5B | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128 | x-ray diffraction | A | Q7Z | — |
| 6Z5C | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070 | x-ray diffraction | A | NA, PO4, PQ5 | 1 (best 0.70) |
| 6Z5C | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070 | x-ray diffraction | A | NA, PO4, PQ5 | — |
| 6Z5D | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082 | x-ray diffraction | A | Q8Q, NA | 2 (best 0.70) |
| 6Z5D | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082 | x-ray diffraction | A | Q8Q, NA | — |
| 6Z5E | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093 | x-ray diffraction | A | NA, Q8K | 2 (best 0.70) |
| 6Z5E | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093 | x-ray diffraction | A | NA, Q8K | — |
| 7AVQ | Crystal structure of haspin in complex with disubstituted imidazo[1,2- b]pyridazine inhibitor… | x-ray diffraction | A | S1Z, NA | 1 (best 0.71) |
| 7AVQ | Crystal structure of haspin in complex with disubstituted IMIDAZO[1,2- B]PYRIDAZINE inhibitor… | x-ray diffraction | A | S1Z, NA | — |
| 7OPS | Crystal structure of haspin in complex with ZW282 (compound 2a) | x-ray diffraction | A | 07C | 2 (best 0.70) |
| 7OPS | Crystal structure of haspin in complex with ZW282 (compound 2A) | x-ray diffraction | A | 07C | — |
| 7SQM | Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial… | x-ray diffraction | A | A5G | 2 (best 0.72) |
| 7SQM | Discovery and preclinical pharmacology of INE963, a potent and fast- acting blood-stage… | x-ray diffraction | A | A5G | — |
8 records more on the page itself.
Ligands
- NA · Sodium ion · in 27 records
- PO4 · Phosphate ion · in 14 records
- 5ID · (2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol · in 6 records
- IOD · Iodide ion · in 6 records
- CO · Cobalt (II) ion · in 4 records
- NI · Nickel (II) ion · in 4 records
- ZN · Zinc ion · in 3 records
- 07C · 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline · in 2 records
- A5G · 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-B][1,3, 4]thiadiazol-2-yl]-4-methylpiperidin-4-amine · in 2 records
- BR · Bromide ion · in 2 records
- EKH · 5-chlorotubercidin · in 2 records
- EKK · 5-bromotubercidin · in 2 records
- FTU · 5-fluorotubercidin · in 2 records
- PQ5 · 7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12, 6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid · in 2 records
- Q7Q · 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23), 3(25),4,6,17,20(24),21-heptaen-10-one · in 2 records
- Q7Z · 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21, 23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one · in 2 records
- Q8B · N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15, 19,21,23-hexazatetracyclo[15.6.1.13,7.020, 24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide · in 2 records
- Q8K · 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21), 2(23),3,5,15(22),16,19-heptaen-7-one · in 2 records
- Q8Q · 11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12, 6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one · in 2 records
- Q8W · 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20), 2(22),3,5,14(21),15,18-heptaene · in 2 records
- Q98 · 11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018, 21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one · in 2 records
- Q9B · 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018, 21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one · in 2 records
- S1Z · (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol · in 2 records
- TBN · 2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol · in 2 records
- 66M · (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name) · in 1 record
- 6L5 · (3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name) · in 1 record
- A1IDA · 5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine · in 1 record
- A1IDB · 5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine · in 1 record
- A1IDC · ~{N}-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine · in 1 record
- A1IDD · [4-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-yl]methanamine · in 1 record
Experiment against prediction
- 7OPS chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.42 Å
- 7OPS chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.42 Å
- 6Z5D chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.43 Å
- 6Z5D chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.43 Å
- 6G3A chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.46 Å
- 6G3A chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.46 Å
- 6Z57 chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.46 Å
- 6Z57 chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.46 Å
- 6Z5E chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.46 Å
- 6Z5E chain A against the predicted model Q8TF76: TM-score 1.00, RMSD 0.46 Å
Elsewhere
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