MolNFT v1 · #81976 · protein
Crystal structure of staphylococcus aureus biotin protein ligase in complex with biotinyl-5'-AMP
3V8L · Biotin ligase: “Crystal structure of staphylococcus aureus biotin protein ligase in complex with biotinyl-5'-AMP”. X-ray diffraction, 1 ligand (BT5), 3 pockets (best druggability 0.70). MolNFT v1 #81976 on GenesisL1: 3D structure…
- PDB
- 3V8L
- Type
- protein
- Length
- 322 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Biotin ligase
- UniProt
- C8N5A9
- Ligands
- BT5
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Biotin ligase | protein | 322 | 35% helix, 31% strand | C8N5A9 |
Ligands and binding sites
- BT5 · Biotinyl-5-amp · ligand · 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 | 363 | 0.70 | 0.83 | 50 | BT5 |
| 2 | 76 | 0.40 | 0.79 | 16 | empty |
| 3 | 52 | 0.29 | 0.75 | 13 | empty |
Compared structures
- 3V8L · Crystal structure of Staphylococcus aureus biotin protein ligase in complex with… · 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 C8N5A9
- Elsewhere: RCSB PDB 3V8L · PDBe 3V8L · UniProt C8N5A9
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