MolNFT v1 · #58567 · protein
Crystal structure of a meso-active thermo-stable cellulase (mt CEL12A) derived by making non-contiguous mutations in the active surface of the CEL12A cellulase of rhodothermus marinus
3B7M: “Crystal structure of a meso-active thermo-stable cellulase (mt CEL12A) derived by making non-contiguous…”. X-ray diffraction, 2 pockets (best druggability 0.85). MolNFT v1 #58567 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3B7M
- Type
- protein
- Length
- 864 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulase
- EC
- 3.2.1.4
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cellulase (EC 3.2.1.4) | protein | 216 | 6% helix, 54% strand | — |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1120 | 0.85 | 0.86 | 143 | empty |
| 2 | 882 | 0.77 | 0.80 | 87 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1064 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1044 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 766 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 719 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 78 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3B7M · Crystal structure of a meso-active thermo-stable cellulase (MT Cel12A) derived by making… · 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 3B7M · PDBe 3B7M
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