MolNFT v1 · #113541 · protein
P. aeruginosa sdsa hexagonal polymorph
5AIJ · Alkyl sulfatase: “P. aeruginosa sdsa hexagonal polymorph”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.77). MolNFT v1 #113541 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AIJ
- Type
- protein
- Length
- 630 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkyl sulfatase
- UniProt
- V9UAA9
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkyl sulfatase | protein | 630 | 42% helix, 17% strand | V9UAA9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1113 | 0.77 | 0.79 | 81 | empty |
| 2 | 951 | 0.73 | 0.76 | 53 | GOL |
| 3 | 68 | 0.39 | 0.79 | 12 | empty |
Compared structures
- 5AIJ · P. aeruginosa SdsA hexagonal polymorph · 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 V9UAA9
- Elsewhere: RCSB PDB 5AIJ · PDBe 5AIJ · UniProt V9UAA9
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