MolNFT v1 · #173502 · protein
Dtxr-like iron-dependent regulator ider complexed with cobalt
7B1V · Dtxr family iron (metal) dependent repressor: “Dtxr-like iron-dependent regulator ider complexed with cobalt”. X-ray diffraction, 1 ligand (CO), 2 pockets (best druggability 0.43). MolNFT v1 #173502 on GenesisL1: 3D structure…
- PDB
- 7B1V
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dtxr family iron (metal) dependent repressor
- UniProt
- A0A2A9J1W2
- Ligands
- CO
- Pockets
- 2 · best druggability 0.43
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dtxr family iron (metal) dependent repressor | protein | 222 | 49% helix, 14% strand | A0A2A9J1W2 |
| B | Dtxr family iron (metal) dependent repressor | protein | 220 | 49% helix, 17% strand | A0A2A9J1W2 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · 4 copies · 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 | 101 | 0.43 | 0.78 | 22 | empty |
| 2 | 74 | 0.42 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 855 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 7B1V · DtxR-like iron-dependent regulator IdeR complexed with cobalt · 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 A0A2A9J1W2
- Elsewhere: RCSB PDB 7B1V · PDBe 7B1V · UniProt A0A2A9J1W2
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