MolNFT v1 · #175532 · protein
Crystal structure of thermotoga maritima alpha-glucuronidase (TM0752) in complex with NADH and D-glucuronic acid
7CTM · Alpha-glucosidase, putative: “Crystal structure of thermotoga maritima alpha-glucuronidase (TM0752) in complex with NADH and D-glucuronic…”. X-ray diffraction, 2 ligands (NAI, BDP), 2 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 7CTM
- Type
- protein
- Length
- 469 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-glucosidase, putative
- UniProt
- Q9WZL1
- Ligands
- NAI, BDP
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-glucosidase, putative | protein | 469 | 47% helix, 16% strand | Q9WZL1 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A
- BDP · beta-D-glucopyranuronic acid · sugar · chains A
- IPA · Isopropyl alcohol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 689 | 0.76 | 0.82 | 67 | NAI, BDP |
| 2 | 146 | 0.51 | 0.79 | 30 | empty |
Modifications
Observed in the structure: 1 disulfide, 1 modified (disulfide, oxidation).
Compared structures
- 7CTM · Crystal structure of Thermotoga maritima alpha-glucuronidase (TM0752) in complex with… · 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 Q9WZL1
- Elsewhere: RCSB PDB 7CTM · PDBe 7CTM · UniProt Q9WZL1
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