MolNFT v1 · #102838 · protein
Structure of cellulose active lpmo CELS2 (SCLPMO10C) in complex with copper.
4OY7 · Putative secreted cellulose binding protein: “Structure of cellulose active lpmo CELS2 (SCLPMO10C) in complex with copper.”. X-ray diffraction, 2 ligands (CU, CA), 15 pockets (best druggability 0.74). MolNFT v1 #102838 on GenesisL1…
- PDB
- 4OY7
- Type
- protein
- Length
- 1,565 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative secreted cellulose binding protein
- UniProt
- Q9RJY2
- Ligands
- CU, CA
- Pockets
- 15 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, G | Putative secreted cellulose binding protein | protein | 196 | 18% helix, 33% strand | Q9RJY2 |
| E, F, H | Putative secreted cellulose binding protein | protein | 195 | 18% helix, 32% strand | Q9RJY2 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
- CA · Calcium ion · metal · 4 copies · chains B, C, E, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 967 | 0.74 | 0.77 | 122 | empty |
| 2 | 748 | 0.71 | 0.77 | 96 | empty |
| 3 | 442 | 0.71 | 0.81 | 78 | empty |
| 4 | 311 | 0.66 | 0.81 | 60 | empty |
| 5 | 341 | 0.66 | 0.80 | 60 | empty |
Interfaces
13 interfaces between chains.
- D–H · 441 Ų buried · 5 hydrogen bonds · protein-protein
- C–G · 437 Ų buried · 6 hydrogen bonds · protein-protein
- A–E · 430 Ų buried · 6 hydrogen bonds · protein-protein
- B–F · 423 Ų buried · 5 hydrogen bonds · protein-protein
- A–F · 421 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 4OY7 · Structure of cellulose active LPMO CelS2 (ScLPMO10C) in complex with Copper. · 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 Q9RJY2
- Elsewhere: RCSB PDB 4OY7 · PDBe 4OY7 · UniProt Q9RJY2
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