MolNFT v1 · #58245 · protein
Perrhenate binding to A11C/R153C moda mutant
3AXF · Molybdate-binding periplasmic protein: “Perrhenate binding to A11C/R153C moda mutant”. X-ray diffraction, 1 ligand (REO), 5 pockets (best druggability 0.79). MolNFT v1 #58245 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3AXF
- Type
- protein
- Length
- 693 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdate-binding periplasmic protein
- UniProt
- P37329
- Ligands
- REO
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Molybdate-binding periplasmic protein | protein | 231 | 43% helix, 26% strand | P37329 |
Ligands and binding sites
- REO · Perrhenate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 942 | 0.79 | 0.81 | 86 | empty |
| 2 | 241 | 0.53 | 0.77 | 26 | empty |
| 3 | 128 | 0.47 | 0.78 | 24 | empty |
| 4 | 64 | 0.40 | 0.80 | 15 | empty |
| 5 | 53 | 0.38 | 0.80 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 547 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 255 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 168 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 P37329
- Elsewhere: RCSB PDB 3AXF · PDBe 3AXF · UniProt P37329
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