MolNFT v1 · #149051 · protein
Glycoside hydrolase family 81 from clostridium thermocellum (CTLAM81A), mutant E515A
6FOP: “Glycoside hydrolase family 81 from clostridium thermocellum (CTLAM81A), mutant E515A”. X-ray diffraction, 5 ligands (MG, CA, NA), 6 pockets (best druggability 0.68). MolNFT v1 #149051 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6FOP
- Type
- protein
- Length
- 717 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoside hydrolase family 81
- UniProt
- A3DD66
- Ligands
- MG, CA, NA, NI, CL
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycoside hydrolase family 81 | protein | 717 | 28% helix, 28% strand | A3DD66 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- NI · Nickel (II) ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 12 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.68 | 0.96 | 22 | empty |
| 2 | 253 | 0.66 | 0.82 | 25 | MPD |
| 3 | 217 | 0.64 | 0.83 | 34 | CA, ACT |
| 4 | 121 | 0.43 | 0.77 | 23 | empty |
| 5 | 63 | 0.34 | 0.77 | 14 | MPD |
Compared structures
- 6FOP · Glycoside hydrolase family 81 from Clostridium thermocellum (CtLam81A), Mutant E515A · 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 A3DD66
- Elsewhere: RCSB PDB 6FOP · PDBe 6FOP · UniProt A3DD66
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