MolNFT v1 · #171748 · protein
Crystal structure of murine S100A9 mutant C80A bound to calcium and zinc
6ZFE · Protein S100-A9: “Crystal structure of murine S100A9 mutant C80A bound to calcium and zinc”. X-ray diffraction, 4 ligands (CA, ZN, NA), 1 pocket (best druggability 0.48). MolNFT v1 #171748 on GenesisL1: 3D structure, binding sites…
- PDB
- 6ZFE
- Type
- protein
- Length
- 108 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein S100-A9
- UniProt
- P31725
- Ligands
- CA, ZN, NA, SO4
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein S100-A9 | protein | 108 | 60% helix, 2% strand | P31725 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.48 | 0.79 | 20 | empty |
Modifications
Observed in the structure: 1 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 P31725
- Elsewhere: RCSB PDB 6ZFE · PDBe 6ZFE · UniProt P31725
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