MolNFT v1 · #99695 · protein
Crystal structure of E153Q mutant of cold-adapted chitinase from moritella marina
4MB3 · Chitinase 60: “Crystal structure of E153Q mutant of cold-adapted chitinase from moritella marina”. X-ray diffraction, 3 ligands (GLY, NA, CL), 3 pockets (best druggability 0.52). MolNFT v1 #99695 on GenesisL1: 3D structure, binding…
- PDB
- 4MB3
- Type
- protein
- Length
- 528 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase 60
- EC
- 3.2.1.14
- UniProt
- B1VBB0
- Ligands
- GLY, NA, CL
- Pockets
- 3 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase 60 (EC 3.2.1.14) | protein | 528 | 23% helix, 29% strand | B1VBB0 |
Ligands and binding sites
- GLY · Glycine · ligand · chains A
- NA · Sodium ion · metal · 4 copies · chains A
- CL · Chloride ion · ion · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 229 | 0.52 | 0.77 | 28 | empty |
| 2 | 171 | 0.49 | 0.77 | 27 | NA, MPD, CL |
| 3 | 120 | 0.40 | 0.75 | 19 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4MB3 · Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella marina · 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 B1VBB0
- Elsewhere: RCSB PDB 4MB3 · PDBe 4MB3 · UniProt B1VBB0
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