MolNFT v1 · #181844 · protein
Crystal structure of mtb PKS13 thioesterase domain in complex with compound 6
7M7V: “Crystal structure of mtb PKS13 thioesterase domain in complex with compound 6”. X-ray diffraction, 1 ligand (Z3J). MolNFT v1 #181844 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7M7V
- Type
- protein
- Length
- 539 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- I6X8D2
- Ligands
- Z3J
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 267 | — | I6X8D2 |
| B | — | protein | 272 | — | I6X8D2 |
Ligands and binding sites
- Z3J · 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7M7V · Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 · the same entry in another collection · chain A against A, TM-score 1.00
- I6X8D2 · AlphaFold monomer V2.0 prediction for polyketide synthase PKS13 (I6X8D2) · a predicted model of the same protein · chain B against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt I6X8D2
- Elsewhere: RCSB PDB 7M7V · PDBe 7M7V · UniProt I6X8D2
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