MolNFT v1 · #88045 · protein
Crystal structure of celd in complex with affitin E12
4CJ0 · Endoglucanase D: “Crystal structure of celd in complex with affitin E12”. X-ray diffraction, 2 ligands (CA, ZN), 5 pockets (best druggability 0.56). MolNFT v1 #88045 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4CJ0
- Type
- protein
- Length
- 594 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase D; E12 affitin
- EC
- 3.2.1.4
- UniProt
- P0C2S4
- Ligands
- CA, ZN
- Pockets
- 5 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase D (EC 3.2.1.4) | protein | 534 | 39% helix, 15% strand | P0C2S4 |
| B | E12 affitin | protein | 60 | 27% helix, 53% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.56 | 0.81 | 33 | GOL |
| 2 | 97 | 0.38 | 0.75 | 18 | GOL |
| 3 | 86 | 0.35 | 0.75 | 16 | empty |
| 4 | 65 | 0.34 | 0.77 | 15 | empty |
| 5 | 52 | 0.30 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 701 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 P0C2S4
- Elsewhere: RCSB PDB 4CJ0 · PDBe 4CJ0 · UniProt P0C2S4
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