MolNFT v1 · #145728 · protein
Crystal structure of spaa-SLH/G109A in complex with 4,6-pyr-beta-D- mannacome
6CWN · Surface (S-) layer glycoprotein: “Crystal structure of spaa-SLH/G109A in complex with 4,6-pyr-beta-D- mannacome”. X-ray diffraction, 1 ligand (6LA), 1 pocket (best druggability 0.35). MolNFT v1 #145728 on GenesisL1: 3D structure…
- PDB
- 6CWN
- Type
- protein
- Length
- 163 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Surface (S-) layer glycoprotein
- UniProt
- C1JZ07
- Ligands
- 6LA
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Surface (S-) layer glycoprotein | protein | 163 | 41% helix, 5% strand | C1JZ07 |
Ligands and binding sites
- 6LA · methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside · ligand · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 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 | 72 | 0.35 | 0.76 | 13 | empty |
Compared structures
- 6CWN · Crystal structure of SpaA-SLH/G109A in complex with 4,6-Pyr-beta-D-ManNAcOMe · 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 6CWN · PDBe 6CWN · UniProt C1JZ07
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