MolNFT v1 · #86530 · protein
Cladosporium fulvum lysm effector ECP6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer: I3C heavy atom derivative
4B9H · Extracellular protein 6: “Cladosporium fulvum lysm effector ECP6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer…”. X-ray diffraction, 3 ligands (I3C, NAG, NDG), 2 pockets (best druggability 0.62). MolNFT v1…
- PDB
- 4B9H
- Type
- protein
- Length
- 189 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular protein 6
- UniProt
- B3VBK9
- Ligands
- I3C, NAG, NDG
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Extracellular protein 6 | protein | 189 | 23% helix, 22% strand | B3VBK9 |
Ligands and binding sites
- I3C · 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
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 | 481 | 0.62 | 0.76 | 52 | NDG, NAG |
| 2 | 74 | 0.31 | 0.74 | 19 | empty |
Modifications
Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 4B9H · Cladosporium fulvum LysM effector Ecp6 in complex with a beta-1,4- linked… · 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 B3VBK9
- Elsewhere: RCSB PDB 4B9H · PDBe 4B9H · UniProt B3VBK9
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