Research workbench
Alpha-methylacyl-CoA racemase from mycobacterium tuberculosis- mutational and structural characterization of the fold and active site
Analyse Alpha-methylacyl-CoA racemase from mycobacterium tuberculosis- mutational and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1X74
- Type
- protein
- Length
- 1,416 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-methylacyl-CoA racemase
- EC
- 5.1.99.4
- UniProt
- O06543
- Ligands
- PO4
- Pockets
- 11 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 2-methylacyl-CoA racemase (EC 5.1.99.4) | protein | 354 | 40% helix, 15% strand | O06543 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 535 | 0.69 | 0.79 | 67 | GOL |
| 2 | 473 | 0.68 | 0.79 | 59 | GOL |
| 3 | 510 | 0.68 | 0.78 | 50 | GOL |
| 4 | 519 | 0.68 | 0.78 | 55 | GOL |
| 5 | 267 | 0.51 | 0.75 | 32 | empty |
Interfaces
4 interfaces between chains.
- C–D · 6309 Ų buried · 99 hydrogen bonds · protein-protein
- A–B · 6293 Ų buried · 103 hydrogen bonds · protein-protein
- A–D · 342 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 16 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1X74 · Alpha-methylacyl-CoA racemase from Mycobacterium tuberculosis- mutational and structural… · the same entry in another collection · chain D against D, TM-score 1.00
- O06543 · AlphaFold monomer V2.0 prediction for alpha-methylacyl-CoA racemase (O06543) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O06543
- Elsewhere: RCSB PDB 1X74 · PDBe 1X74 · UniProt O06543
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