MolNFT v1 · #161698 · protein
Phosphopantetheine adenylyltransferase from mycobacterium tuberculosis in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
6QMG: “Phosphopantetheine adenylyltransferase from mycobacterium tuberculosis in complex with…”. X-ray diffraction, 1 ligand (IOP), 2 pockets (best druggability 0.61). MolNFT v1 #161698 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6QMG
- Type
- protein
- Length
- 152 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopantetheine adenylyltransferase
- EC
- 2.7.7.3
- UniProt
- P9WPA5
- Ligands
- IOP
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 152 | 47% helix, 20% strand | P9WPA5 |
Ligands and binding sites
- IOP · Indolylpropionic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 244 | 0.61 | 0.81 | 29 | IOP |
| 2 | 74 | 0.38 | 0.77 | 17 | empty |
Compared structures
- 6QMG · Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WPA5 · AlphaFold monomer V2.0 prediction for phosphopantetheine adenylyltransferase (P9WPA5) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P9WPA5
- Elsewhere: RCSB PDB 6QMG · PDBe 6QMG · UniProt P9WPA5
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