MolNFT v1 · #111845 · protein
The crystal structure of sclerotium rolfsii lectin variant 2 (SSR2) in complex with N-acetyl-glucosamine
4Z2S: “The crystal structure of sclerotium rolfsii lectin variant 2 (SSR2) in complex with N-acetyl-glucosamine”. X-ray diffraction, 2 ligands (NDG, NAG), 3 pockets (best druggability 0.38). MolNFT v1 #111845 on GenesisL1: 3D structure…
- PDB
- 4Z2S
- Type
- protein
- Length
- 284 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sclerotium rolfsii lectin variant
- Ligands
- NDG, NAG
- Pockets
- 3 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sclerotium rolfsii lectin variant | protein | 142 | 11% helix, 53% strand | — |
Ligands and binding sites
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 123 | 0.38 | 0.74 | 31 | empty |
| 2 | 69 | 0.32 | 0.75 | 19 | empty |
| 3 | 55 | 0.27 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 912 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4Z2S · The crystal structure of Sclerotium Rolfsii lectin variant 2 (SSR2) in complex with… · 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
- Elsewhere: RCSB PDB 4Z2S · PDBe 4Z2S
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