MolNFT v1 · #90372 · protein
Crystal structure of the C-terminal domain of RV0977 of mycobacterium tuberculosis
4EHC · Pe-pgrs family protein: “Crystal structure of the C-terminal domain of RV0977 of mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.52). MolNFT v1 #90372 on GenesisL1: 3D structure, binding…
- PDB
- 4EHC
- Type
- protein
- Length
- 280 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pe-pgrs family protein
- UniProt
- Q79FU3
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pe-pgrs family protein | protein | 280 | 11% helix, 42% strand | Q79FU3 |
Ligands and binding sites
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 | 201 | 0.52 | 0.77 | 34 | EDO |
| 2 | 56 | 0.39 | 0.81 | 14 | EDO |
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 4EHC · Crystal structure of the C-terminal domain of Rv0977 of Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
- Q79FU3 · AlphaFold monomer V2.0 prediction for pe-pgrs family protein PE_PGRS16 (Q79FU3) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 Q79FU3
- Elsewhere: RCSB PDB 4EHC · PDBe 4EHC · UniProt Q79FU3
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