UniProt I6X8D2
Polyketide synthase Pks13 (I6X8D2)
Polyketide synthase Pks13 (UniProt I6X8D2), EC 2.3.1.-: 13 experimental structures on GenesisL1, 9 ligands bound, 62 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- I6X8D2
- Protein
- Polyketide synthase Pks13
- EC
- 2.3.1.-
- Experimental structures
- 13
- Predicted models
- 0
- Ligands
- 9
- Pockets
- 62 · 8 records with a druggable one
Structures
13 records of I6X8D2 in the MolNFT archive: 13 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5XUO | Pks13 AT domain fragment from Mycobacterium tuberculosis | x-ray diffraction | A | — | — |
| 5XUO | PKS13 at domain fragment from mycobacterium tuberculosis | x-ray diffraction | A | — | — |
| 6C4Q | 1.16 ångström resolution crystal structure of acyl carrier protein domain (residues 1-100) of… | x-ray diffraction | A | — | 1 (best 0.52) |
| 6C4V | 1.9 ångström resolution crystal structure of acyl carrier protein domain (residues 1350-1461) of… | x-ray diffraction | A | ZN | — |
| 7M7V | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 | x-ray diffraction | A, B | Z3J | 11 (best 0.71) |
| 7M7V | Crystal structure of mtb PKS13 thioesterase domain in complex with compound 6 | x-ray diffraction | A, B | Z3J | — |
| 8Q0T | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase… | x-ray diffraction | A, B | IJJ | 8 (best 0.77) |
| 8Q0U | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase… | x-ray diffraction | A, B | SO4, IKG | 6 (best 0.74) |
| 8Q17 | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase… | x-ray diffraction | A, B | SO4, IL8, 2Q5 | 8 (best 0.75) |
| 8TQG | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419 | x-ray diffraction | A | JR0, SO4 | 3 (best 0.80) |
| 8TQV | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 | x-ray diffraction | A, B | JS9, SO4 | 5 (best 0.76) |
| 9F48 | KS + AT di-domain of polyketide synthase 13 in Mycobacterium tuberculosis | electron microscopy | A, B | — | 20 (best 0.82) |
| I6X8D2 | AlphaFold monomer V2.0 prediction for polyketide synthase PKS13 (I6X8D2) | — | — | — |
Ligands
- SO4 · Sulfate ion · in 4 records
- Z3J · 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide · in 2 records
- 2Q5 · (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol · in 1 record
- IJJ · 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide · in 1 record
- IKG · ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide · in 1 record
- IL8 · ~{N}-[2-[4-(azetidin-1-ylcarbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide · in 1 record
- JR0 · N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide · in 1 record
- JS9 · 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide · in 1 record
- ZN · Zinc ion · in 1 record
Elsewhere
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