MolNFT v1 · #139690 · protein
Crystal structure of a secretary abundant heat soluble (sahs) protein from ramazzottius varieornatus (from dimer sample)
5XNA · SAHS1: “Crystal structure of a secretary abundant heat soluble (sahs) protein from ramazzottius varieornatus (from…”. X-ray diffraction, 4 ligands (SHV, ZN, MG), 3 pockets (best druggability 0.83). MolNFT v1 #139690 on GenesisL1: 3D…
- PDB
- 5XNA
- Type
- protein
- Length
- 274 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SAHS1
- UniProt
- J7MFT5
- Ligands
- SHV, ZN, MG, CL
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | SAHS1 | protein | 137 | 10% helix, 58% strand | J7MFT5 |
Ligands and binding sites
- SHV · Heptanoic acid · ligand · chains A
- ZN · Zinc ion · metal · 6 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 14 copies · chains A, B
- ACY · Acetic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 475 | 0.83 | 0.89 | 40 | EDO, ACY |
| 2 | 545 | 0.80 | 0.86 | 39 | EDO, SHV |
| 3 | 452 | 0.76 | 0.85 | 63 | EDO, CL, ZN |
Interfaces
1 interface between chains.
- A–B · 528 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5XNA · Crystal structure of a secretary abundant heat soluble (SAHS) protein from Ramazzottius… · the same entry in another collection · chain A against A, TM-score 1.00
- J7MFT5 · AlphaFold monomer V2.0 prediction for secretory-abundant heat soluble protein 1 (J7MFT5) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 J7MFT5
- Elsewhere: RCSB PDB 5XNA · PDBe 5XNA · UniProt J7MFT5
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