MolNFT v1 · #73389 · protein
Crystal structure of a zn-bound histidine triad family protein from mycobacterium smegmatis
3O0M · Hit family protein: “Crystal structure of a zn-bound histidine triad family protein from mycobacterium smegmatis”. X-ray diffraction, 2 ligands (AMP, ZN), 3 pockets (best druggability 0.58). MolNFT v1 #73389 on GenesisL1: 3D…
- PDB
- 3O0M
- Type
- protein
- Length
- 274 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hit family protein
- UniProt
- A0R291
- Ligands
- AMP, ZN
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hit family protein | protein | 139 | 33% helix, 18% strand | A0R291 |
| B | Hit family protein | protein | 135 | 34% helix, 19% strand | A0R291 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 364 | 0.58 | 0.76 | 39 | empty |
| 2 | 132 | 0.45 | 0.76 | 28 | AMP |
| 3 | 66 | 0.33 | 0.76 | 21 | AMP |
Interfaces
1 interface between chains.
- A–B · 154 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3O0M · Crystal structure of a ZN-bound histidine triad family protein from Mycobacterium… · 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 A0R291
- Elsewhere: RCSB PDB 3O0M · PDBe 3O0M · UniProt A0R291
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