Research workbench
Crystal structure of putative long-chain-fatty-acid CoA ligase from rhodopseudomonas palustris CGA009
Analyse Crystal structure of putative long-chain-fatty-acid CoA ligase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IVR
- Type
- protein
- Length
- 787 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative long-chain-fatty-acid CoA ligase
- EC
- 6.2.1.3
- UniProt
- Q6NAE3
- Ligands
- CL
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative long-chain-fatty-acid CoA ligase (EC 6.2.1.3) | protein | 394 | 36% helix, 28% strand | Q6NAE3 |
| B | Putative long-chain-fatty-acid CoA ligase (EC 6.2.1.3) | protein | 393 | 36% helix, 27% strand | Q6NAE3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 631 | 0.78 | 0.84 | 55 | empty |
| 2 | 409 | 0.68 | 0.80 | 61 | GOL |
| 3 | 334 | 0.66 | 0.81 | 57 | GOL |
| 4 | 407 | 0.63 | 0.78 | 33 | GOL |
| 5 | 394 | 0.62 | 0.77 | 38 | GOL |
Interfaces
1 interface between chains.
- A–B · 1492 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 3IVR · CRYSTAL STRUCTURE OF PUTATIVE long-chain-fatty-acid CoA ligase FROM Rhodopseudomonas… · 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 Q6NAE3
- Elsewhere: RCSB PDB 3IVR · PDBe 3IVR · UniProt Q6NAE3
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