MolNFT v1 · #102697 · protein
A structural characterization of the isoniazid mycobacterium tuberculosis drug target, RV2971, in its unliganded form
4OTK · Mycobacterial enzyme RV2971: “A structural characterization of the isoniazid mycobacterium tuberculosis drug target, RV2971, in its…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.59). MolNFT v1 #102697 on…
- PDB
- 4OTK
- Type
- protein
- Length
- 276 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mycobacterial enzyme RV2971
- EC
- 1.-.-.-
- UniProt
- P95124
- Ligands
- CL
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mycobacterial enzyme RV2971 (EC 1.-.-.-) | protein | 276 | 43% helix, 18% strand | P95124 |
Ligands and binding sites
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 | 108 | 0.59 | 0.86 | 24 | MLI |
| 2 | 96 | 0.39 | 0.76 | 17 | MLI, CL |
| 3 | 54 | 0.29 | 0.75 | 21 | empty |
Compared structures
- 4OTK · A structural characterization of the isoniazid Mycobacterium tuberculosis drug target… · 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 P95124
- Elsewhere: RCSB PDB 4OTK · PDBe 4OTK · UniProt P95124
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