MolNFT v1 · #142649 · protein
Crystal structure of methanosarcina mazei PYLRS(Y306A/Y384F) complexed with PNO2ZLYS
6AAZ · Pyrrolysine--tRNA ligase: “Crystal structure of methanosarcina mazei PYLRS(Y306A/Y384F) complexed with PNO2ZLYS”. X-ray diffraction, 4 ligands (ATP, 9UC, MG), 2 pockets (best druggability 0.79). MolNFT v1 #142649 on GenesisL1: 3D…
- PDB
- 6AAZ
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyrrolysine--tRNA ligase
- EC
- 6.1.1.26
- UniProt
- A0A0F8JXW8
- Ligands
- ATP, 9UC, MG, K
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyrrolysine--tRNA ligase (EC 6.1.1.26) | protein | 265 | 38% helix, 25% strand | A0A0F8JXW8 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- 9UC · N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- K · Potassium ion · metal · 3 copies · chains A
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 409 | 0.79 | 0.87 | 51 | MG, ATP, 9UC |
| 2 | 96 | 0.38 | 0.75 | 16 | empty |
Compared structures
- 6AAZ · Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with pNO2ZLys · 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 A0A0F8JXW8
- Elsewhere: RCSB PDB 6AAZ · PDBe 6AAZ · UniProt A0A0F8JXW8
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