MolNFT v1 · #103639 · protein
Crystal structure of the mycobacterium tuberculosis tat-secreted protein RV2525C, monoclinic crystal form I
4PMO: “Crystal structure of the mycobacterium tuberculosis tat-secreted protein RV2525C, monoclinic crystal form I”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.62). MolNFT v1 #103639 on GenesisL1: 3D structure…
- PDB
- 4PMO
- Type
- protein
- Length
- 422 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tat-secreted protein RV2525C
- UniProt
- P95028
- Ligands
- NA
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tat-secreted protein RV2525C | protein | 211 | 34% helix, 23% strand | P95028 |
Ligands and binding sites
- NA · Sodium ion · metal · 6 copies · chains A, B
- FMT · Formic acid · additive · 10 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.62 | 0.82 | 28 | GOL, FMT |
| 2 | 173 | 0.49 | 0.77 | 30 | GOL, FMT |
| 3 | 152 | 0.48 | 0.77 | 27 | GOL, FMT |
Interfaces
1 interface between chains.
- A–B · 278 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4PMO · Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c… · 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 4PMO · PDBe 4PMO · UniProt P95028
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