MolNFT v1 · #99380 · protein
Structure of a novel cellulase 5 from a sugarcane soil metagenomic library
4M1R: “Structure of a novel cellulase 5 from a sugarcane soil metagenomic library”. X-ray diffraction, 4 pockets (best druggability 0.65). MolNFT v1 #99380 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4M1R
- Type
- protein
- Length
- 592 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulase 5
- EC
- 3.2.1.4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cellulase 5 (EC 3.2.1.4) | protein | 296 | 39% helix, 20% strand | — |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 412 | 0.65 | 0.79 | 35 | empty |
| 2 | 87 | 0.40 | 0.78 | 20 | TRS |
| 3 | 76 | 0.37 | 0.77 | 19 | TRS |
| 4 | 50 | 0.25 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 329 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4M1R · Structure of a novel cellulase 5 from a sugarcane soil metagenomic library · 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 4M1R · PDBe 4M1R
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