MolNFT v1 · #159717 · protein
Crystal structure of the adenylation (a) domain of the carboxylate reductase (car) GR01_22995 from mycobacterium chelonae
6OZ1 · Oxidoreductase: “Crystal structure of the adenylation (a) domain of the carboxylate reductase (car) GR01_22995 from…”. X-ray diffraction, 3 ligands (AMP, SO4, CL), 7 pockets (best druggability 0.85). MolNFT v1 #159717 on GenesisL1…
- PDB
- 6OZ1
- Type
- protein
- Length
- 643 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase
- UniProt
- A0A0E3TT64
- Ligands
- AMP, SO4, CL
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase | protein | 643 | 40% helix, 24% strand | A0A0E3TT64 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · chains A
- SO4 · Sulfate ion · ion · 8 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 4 copies · chains A
- SIN · Succinic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1121 | 0.85 | 0.86 | 118 | SO4, AMP, SIN, GOL |
| 2 | 309 | 0.62 | 0.79 | 40 | SO4 |
| 3 | 351 | 0.60 | 0.77 | 37 | empty |
| 4 | 342 | 0.59 | 0.77 | 49 | empty |
| 5 | 54 | 0.28 | 0.75 | 18 | empty |
Compared structures
- 6OZ1 · Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR)… · 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 A0A0E3TT64
- Elsewhere: RCSB PDB 6OZ1 · PDBe 6OZ1 · UniProt A0A0E3TT64
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