MolNFT v1 · #117489 · protein
Spirochaeta thermophila X module - CBM64 - mutant G504A
5E9O · Cellulase, glycosyl hydrolase family 5, tps linker, domain X: “Spirochaeta thermophila X module - CBM64 - mutant G504A”. X-ray diffraction, 1 ligand (I3C), 2 pockets (best druggability 0.72). MolNFT v1 #117489 on GenesisL1: 3D…
- PDB
- 5E9O
- Type
- protein
- Length
- 340 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulase, glycosyl hydrolase family 5, tps linker, domain X
- UniProt
- E0RQU0
- Ligands
- I3C
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cellulase, glycosyl hydrolase family 5, tps linker, domain X | protein | 85 | 4% helix, 44% strand | E0RQU0 |
Ligands and binding sites
- I3C · 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid · ligand · 5 copies · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 627 | 0.72 | 0.79 | 50 | empty |
| 2 | 144 | 0.44 | 0.76 | 27 | empty |
Interfaces
6 interfaces between chains.
- A–B · 522 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 266 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 240 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 238 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 122 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5E9O · Spirochaeta thermophila X module - CBM64 - mutant G504A · 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 E0RQU0
- Elsewhere: RCSB PDB 5E9O · PDBe 5E9O · UniProt E0RQU0
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