MolNFT v1 · #153689 · protein
Crystal structure of ostrinia furnacalis group IV chitinase in complex with allosamidin
6JMB · Ofchtiv-allosamidin: “Crystal structure of ostrinia furnacalis group IV chitinase in complex with allosamidin”. X-ray diffraction, 2 ligands (AMI, NAA), 1 pocket (best druggability 0.65). MolNFT v1 #153689 on GenesisL1: 3D…
- PDB
- 6JMB
- Type
- protein
- Length
- 374 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ofchtiv-allosamidin
- Ligands
- AMI, NAA
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ofchtiv-allosamidin | protein | 374 | 38% helix, 22% strand | — |
Ligands and binding sites
- AMI · Allosamizoline · ligand · chains A
- NAA · 2-acetamido-2-deoxy-beta-D-allopyranose · sugar · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 394 | 0.65 | 0.79 | 46 | NAA, AMI |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6JMB · Crystal structure of Ostrinia furnacalis Group IV chitinase in complex with allosamidin · 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 6JMB · PDBe 6JMB
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