MolNFT v1 · #61054 · protein
Crystal structure of purn from mycobacterium tuberculosis
3DA8 · Probable 5'-phosphoribosylglycinamide formyltransferase purn: “Crystal structure of purn from mycobacterium tuberculosis”. X-ray diffraction, 2 ligands (MG, IOD), 3 pockets (best druggability 0.59). MolNFT v1 #61054 on GenesisL1: 3D…
- PDB
- 3DA8
- Type
- protein
- Length
- 418 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable 5'-phosphoribosylglycinamide formyltransferase purn
- EC
- 2.1.2.2
- UniProt
- P71554
- Ligands
- MG, IOD
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable 5'-phosphoribosylglycinamide formyltransferase purn (EC 2.1.2.2) | protein | 213 | 35% helix, 26% strand | P71554 |
| B | Probable 5'-phosphoribosylglycinamide formyltransferase purn (EC 2.1.2.2) | protein | 205 | 36% helix, 27% strand | P71554 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- IOD · Iodide ion · ion · 9 copies · chains A, B
- BME · Beta-mercaptoethanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 321 | 0.59 | 0.77 | 47 | MG, IOD |
| 2 | 281 | 0.57 | 0.77 | 41 | IOD |
| 3 | 358 | 0.53 | 0.73 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 146 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3DA8 · Crystal structure of PurN from Mycobacterium tuberculosis · the same entry in another collection · chain B against B, 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 P71554
- Elsewhere: RCSB PDB 3DA8 · PDBe 3DA8 · UniProt P71554
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