MolNFT v1 · #71730 · protein
Crystal structure of endoglucanase CEL5A from the hyperthermophilic thermotoga maritima
3MMU: “Crystal structure of endoglucanase CEL5A from the hyperthermophilic thermotoga maritima”. X-ray diffraction, 2 ligands (NI, CD), 20 pockets (best druggability 0.82). MolNFT v1 #71730 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3MMU
- Type
- protein
- Length
- 2,472 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase
- UniProt
- Q9X273
- Ligands
- NI, CD
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Endoglucanase | protein | 309 | 42% helix, 14% strand | Q9X273 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 36 copies · chains A, H, G, B, C, F, E, D
- CD · Cadmium ion · metal · 20 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 849 | 0.82 | 0.85 | 64 | CD, NI |
| 2 | 1092 | 0.82 | 0.83 | 75 | CD, NI |
| 3 | 1177 | 0.82 | 0.83 | 72 | CD, NI |
| 4 | 1195 | 0.82 | 0.83 | 77 | CD, NI |
| 5 | 612 | 0.78 | 0.84 | 69 | empty |
Interfaces
20 interfaces between chains.
- E–F · 1586 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1582 Ų buried · 19 hydrogen bonds · protein-protein
- G–H · 1543 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1512 Ų buried · 14 hydrogen bonds · protein-protein
- A–G · 437 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3MMU · Crystal structure of endoglucanase Cel5A from the hyperthermophilic Thermotoga maritima · the same entry in another collection · chain F against F, 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 Q9X273
- Elsewhere: RCSB PDB 3MMU · PDBe 3MMU · UniProt Q9X273
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