Research workbench
Crystal structure of arabidopsis thaliana NAA60 in complex with a bisubstrate analogue
Analyse Crystal structure of arabidopsis thaliana NAA60 in complex with a bisubstrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TGX
- Type
- protein
- Length
- 354 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA N-acyltransferases (nat) superfamily protein; Met-val-asn-ala
- UniProt
- Q6NLS5
- Ligands
- CMC
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA N-acyltransferases (nat) superfamily protein | protein | 174 | 32% helix, 37% strand | Q6NLS5 |
| B | Acyl-CoA N-acyltransferases (nat) superfamily protein | protein | 172 | 30% helix, 38% strand | Q6NLS5 |
| C, D | Met-val-asn-ala | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
- CMC · Carboxymethyl coenzyme *A · ligand · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1009 | 0.74 | 0.77 | 91 | CMC |
| 2 | 63 | 0.35 | 0.78 | 13 | empty |
| 3 | 74 | 0.30 | 0.74 | 13 | empty |
| 4 | 53 | 0.26 | 0.73 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 784 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 420 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 391 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6TGX · Crystal structure of Arabidopsis thaliana NAA60 in complex with a bisubstrate analogue · 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 Q6NLS5
- Elsewhere: RCSB PDB 6TGX · PDBe 6TGX · UniProt Q6NLS5
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