MolNFT v1 · #108798 · protein
Crystal structure of apo-pepck from mycobacterium tuberculosis with glycerol
4WIE · Phosphoenolpyruvate carboxykinase [GTP]: “Crystal structure of apo-pepck from mycobacterium tuberculosis with glycerol”. X-ray diffraction, 1 ligand (MN), 7 pockets (best druggability 0.77). MolNFT v1 #108798 on GenesisL1: 3D…
- PDB
- 4WIE
- Type
- protein
- Length
- 600 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxykinase [GTP]
- EC
- 4.1.1.32
- UniProt
- A5TYT6
- Ligands
- MN
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate carboxykinase [GTP] (EC 4.1.1.32) | protein | 600 | 33% helix, 23% strand | A5TYT6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.77 | 0.99 | 17 | empty |
| 2 | 346 | 0.66 | 0.80 | 53 | MN |
| 3 | 109 | 0.57 | 0.85 | 20 | empty |
| 4 | 163 | 0.57 | 0.81 | 25 | empty |
| 5 | 66 | 0.32 | 0.75 | 21 | empty |
Compared structures
- 4WIE · Crystal structure of apo-PEPCK from Mycobacterium tuberculosis with glycerol · the same entry in another collection · chain A against A, TM-score 1.00
- A5TYT6 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxykinase [GTP] (A5TYT6) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 A5TYT6
- Elsewhere: RCSB PDB 4WIE · PDBe 4WIE · UniProt A5TYT6
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