MolNFT v1 · #143550 · protein
Apo yiua crystal form 1
6B2X · Solute-binding periplasmic protein of IRON/SIDEROPHORE ABC…: “Apo yiua crystal form 1”. X-ray diffraction, 2 ligands (NA, CL), 4 pockets (best druggability 0.53). MolNFT v1 #143550 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6B2X
- Type
- protein
- Length
- 666 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Solute-binding periplasmic protein of IRON/SIDEROPHORE ABC transporter
- UniProt
- Q8D027
- Ligands
- NA, CL
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Solute-binding periplasmic protein of IRON/SIDEROPHORE ABC transporter | protein | 334 | 43% helix, 17% strand | Q8D027 |
| B | Solute-binding periplasmic protein of IRON/SIDEROPHORE ABC transporter | protein | 332 | 42% helix, 17% strand | Q8D027 |
Ligands and binding sites
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 | 267 | 0.53 | 0.76 | 37 | empty |
| 2 | 76 | 0.36 | 0.77 | 19 | empty |
| 3 | 56 | 0.34 | 0.78 | 17 | empty |
| 4 | 59 | 0.27 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 422 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6B2X · Apo YiuA Crystal Form 1 · 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 Q8D027
- Elsewhere: RCSB PDB 6B2X · PDBe 6B2X · UniProt Q8D027
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