Research workbench
Structure of E. COLI bira G142A bound to biotinol-5'-AMP
Analyse Structure of E. COLI bira G142A bound to biotinol-5'-AMP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WF2
- Type
- protein
- Length
- 304 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional LIGASE/REPRESSOR bira
- EC
- 6.3.4.15
- UniProt
- P06709
- Ligands
- BTX
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional LIGASE/REPRESSOR bira (EC 6.3.4.15) | protein | 304 | 31% helix, 30% strand | P06709 |
Ligands and binding sites
- BTX · ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 5-((3as,4s,6ar)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl hydrogen phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 119 | 0.60 | 0.86 | 26 | BTX |
| 2 | 164 | 0.48 | 0.77 | 23 | empty |
| 3 | 172 | 0.45 | 0.75 | 28 | empty |
| 4 | 89 | 0.36 | 0.75 | 19 | empty |
Compared structures
- 4WF2 · Structure of E. coli BirA G142A bound to biotinol-5'-AMP · the same entry in another collection · chain A against A, TM-score 1.00
- P06709 · AlphaFold monomer V2.0 prediction for bifunctional LIGASE/REPRESSOR bira (P06709) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P06709
- Elsewhere: RCSB PDB 4WF2 · PDBe 4WF2 · UniProt P06709
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