MolNFT v1 · #84934 · protein
Crystal structure of mycobacterium tuberculosis purh with a novel bound nucleotide cfair, at 2.2 a resolution.
3ZZM · Bifunctional purine biosynthesis protein purh: “Crystal structure of mycobacterium tuberculosis purh with a novel bound nucleotide cfair, at 2.2 a resolution.”. X-ray diffraction, 3 ligands (JLN, K, PO4), 9 pockets (best…
- PDB
- 3ZZM
- Type
- protein
- Length
- 1,038 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional purine biosynthesis protein purh
- EC
- 2.1.2.3, 3.5.4.10
- UniProt
- P67541
- Ligands
- JLN, K, PO4
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional purine biosynthesis protein purh (EC 2.1.2.3, 3.5.4.10) | protein | 520 | 39% helix, 21% strand | P67541 |
| B | Bifunctional purine biosynthesis protein purh (EC 2.1.2.3, 3.5.4.10) | protein | 518 | 40% helix, 21% strand | P67541 |
Ligands and binding sites
- JLN · 5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid · ligand · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 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
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 958 | 0.86 | 0.88 | 99 | empty |
| 2 | 240 | 0.68 | 0.85 | 41 | empty |
| 3 | 367 | 0.65 | 0.80 | 39 | PO4 |
| 4 | 315 | 0.63 | 0.80 | 31 | empty |
| 5 | 399 | 0.63 | 0.77 | 44 | empty |
Interfaces
1 interface between chains.
- A–B · 6106 Ų buried · 119 hydrogen bonds · protein-protein
Compared structures
- 3ZZM · Crystal structure of Mycobacterium tuberculosis PurH with a novel bound nucleotide CFAIR… · 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 P67541
- Elsewhere: RCSB PDB 3ZZM · PDBe 3ZZM · UniProt P67541
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