Research workbench
Crystal structure of acyl-CoA hydrolase (15159470) from agrobacterium tumefaciens at 2.65 a resolution
Analyse Crystal structure of acyl-CoA hydrolase (15159470) from agrobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GVH
- Type
- protein
- Length
- 748 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AGR_L_2016P
- EC
- 3.1.2.20
- Ligands
- NA
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AGR_L_2016P (EC 3.1.2.20) | protein | 248 | 20% helix, 46% strand | — |
| B | AGR_L_2016P (EC 3.1.2.20) | protein | 250 | 21% helix, 46% strand | — |
| C | AGR_L_2016P (EC 3.1.2.20) | protein | 250 | 20% helix, 46% strand | — |
Ligands and binding sites
- NA · Sodium ion · metal · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 968 | 0.83 | 0.84 | 122 | empty |
| 2 | 401 | 0.72 | 0.83 | 71 | empty |
| 3 | 52 | 0.51 | 0.87 | 19 | empty |
| 4 | 117 | 0.40 | 0.76 | 31 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1234 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 1225 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 1224 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 2GVH · Crystal structure of Acyl-CoA hydrolase (15159470) from AGROBACTERIUM TUMEFACIENS at 2.65… · 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
- Elsewhere: RCSB PDB 2GVH · PDBe 2GVH
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