MolNFT v1 · #103638 · protein
Crystal structure of the mycobacterium tuberculosis tat-secreted protein RV2525C in complex with mes (monoclinic crystal form I)
4PMN: “Crystal structure of the mycobacterium tuberculosis tat-secreted protein RV2525C in complex with mes…”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.62). MolNFT v1 #103638 on GenesisL1: 3D structure, binding…
- PDB
- 4PMN
- Type
- protein
- Length
- 420 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tat-secreted protein RV2525C
- UniProt
- P95028
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tat-secreted protein RV2525C | protein | 210 | 34% helix, 22% strand | P95028 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 195 | 0.62 | 0.83 | 27 | GOL |
| 2 | 205 | 0.55 | 0.79 | 28 | MES |
| 3 | 197 | 0.53 | 0.78 | 27 | MES |
| 4 | 57 | 0.33 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 312 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 4PMN · Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c in… · the same entry in another collection · chain A against A, TM-score 1.00
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 P95028
- Elsewhere: RCSB PDB 4PMN · PDBe 4PMN · UniProt P95028
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.