MolNFT v1 · #145723 · protein
Crystal structure of spaa-slh in complex with 4,6-pyr-beta-D-mannacome (C2)
6CWI · Surface (S-) layer glycoprotein: “Crystal structure of spaa-slh in complex with 4,6-pyr-beta-D-mannacome (C2)”. X-ray diffraction, 2 ligands (6LA, SO4), 2 pockets (best druggability 0.56). MolNFT v1 #145723 on GenesisL1: 3D…
- PDB
- 6CWI
- Type
- protein
- Length
- 329 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Surface (S-) layer glycoprotein
- UniProt
- C1JZ07
- Ligands
- 6LA, SO4
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Surface (S-) layer glycoprotein | protein | 165 | 41% helix, 4% strand | C1JZ07 |
| B | Surface (S-) layer glycoprotein | protein | 164 | 43% helix, 4% strand | C1JZ07 |
Ligands and binding sites
- 6LA · methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside · ligand · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.56 | 0.77 | 33 | empty |
| 2 | 57 | 0.36 | 0.79 | 13 | 6LA |
Interfaces
1 interface between chains.
- A–B · 465 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6CWI · Crystal structure of SpaA-SLH in complex with 4,6-Pyr-beta-D-ManNAcOMe (C2) · 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 C1JZ07
- Elsewhere: RCSB PDB 6CWI · PDBe 6CWI · UniProt C1JZ07
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.