Research workbench
Crystal structure of beta subunit of acyl-CoA carboxylase ACCD1 from mycobacterium tuberculosis
Analyse Crystal structure of beta subunit of acyl-CoA carboxylase ACCD1 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Q0G
- Type
- protein
- Length
- 1,544 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable acetyl-/propionyl-CoA carboxylase (beta subunit) ACCD1
- EC
- 6.4.1.3
- UniProt
- O06165
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable acetyl-/propionyl-CoA carboxylase (beta subunit) ACCD1 (EC 6.4.1.3) | protein | 519 | 47% helix, 17% strand | O06165 |
| B | Probable acetyl-/propionyl-CoA carboxylase (beta subunit) ACCD1 (EC 6.4.1.3) | protein | 505 | 45% helix, 17% strand | O06165 |
| C | Probable acetyl-/propionyl-CoA carboxylase (beta subunit) ACCD1 (EC 6.4.1.3) | protein | 520 | 46% helix, 17% strand | O06165 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1076 | 0.83 | 0.84 | 90 | empty |
| 2 | 693 | 0.75 | 0.80 | 77 | empty |
| 3 | 664 | 0.73 | 0.80 | 89 | empty |
| 4 | 497 | 0.67 | 0.78 | 54 | empty |
| 5 | 163 | 0.54 | 0.80 | 27 | empty |
Interfaces
2 interfaces between chains.
- B–C · 4105 Ų buried · 55 hydrogen bonds · protein-protein
- A–B · 841 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4Q0G · Crystal structure of beta subunit of acyl-CoA carboxylase AccD1 from Mycobacterium… · 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 O06165
- Elsewhere: RCSB PDB 4Q0G · PDBe 4Q0G · UniProt O06165
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