MolNFT v1 · #32528 · protein
RU(BPY)2(MBPY)-modified bovine adrenodoxin
2BT6 · Adrenodoxin 1: “RU(BPY)2(MBPY)-modified bovine adrenodoxin”. X-ray diffraction, 3 ligands (FES, RUA, MG), 2 pockets (best druggability 0.40). MolNFT v1 #32528 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BT6
- Type
- protein
- Length
- 208 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adrenodoxin 1
- UniProt
- P00257
- Ligands
- FES, RUA, MG
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adrenodoxin 1 | protein | 104 | 23% helix, 26% strand | P00257 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, B
- RUA · (4'-methyl-2,2'bipyridine)bis(2,2'-bipyridine) · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.40 | 0.77 | 22 | empty |
| 2 | 90 | 0.37 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 343 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 P00257
- Elsewhere: RCSB PDB 2BT6 · PDBe 2BT6 · UniProt P00257
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