MolNFT v1 · #102543 · protein
Crystal structure of biotin protein ligase (RV3279C) of mycobacterium tuberculosis, complexed with biotinyl-5'-AMP
4OP0 · Bira bifunctional protein: “Crystal structure of biotin protein ligase (RV3279C) of mycobacterium tuberculosis, complexed with…”. X-ray diffraction, 2 ligands (BT5, SO4), 7 pockets (best druggability 0.64). MolNFT v1 #102543 on…
- PDB
- 4OP0
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bira bifunctional protein
- EC
- 6.3.4.15
- UniProt
- P96884
- Ligands
- BT5, SO4
- Pockets
- 7 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bira bifunctional protein (EC 6.3.4.15) | protein | 259 | 29% helix, 34% strand | P96884 |
| B | Bira bifunctional protein (EC 6.3.4.15) | protein | 257 | 29% helix, 35% strand | P96884 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 255 | 0.64 | 0.82 | 39 | BT5 |
| 2 | 218 | 0.62 | 0.82 | 40 | BT5 |
| 3 | 196 | 0.50 | 0.77 | 23 | empty |
| 4 | 86 | 0.40 | 0.78 | 17 | empty |
| 5 | 56 | 0.36 | 0.79 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 839 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4OP0 · Crystal structure of biotin protein ligase (RV3279C) of Mycobacterium tuberculosis… · 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 P96884
- Elsewhere: RCSB PDB 4OP0 · PDBe 4OP0 · UniProt P96884
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