Research workbench
Crystal structure of neisseria gonorrhoeae leurs in complex with the reaction intermediate leu-AMP
Analyse Crystal structure of neisseria gonorrhoeae leurs in complex with the reaction… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NU8
- Type
- protein
- Length
- 870 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leucine--tRNA ligase
- EC
- 6.1.1.4
- UniProt
- B4RNT1
- Ligands
- USB, ATP, ZN, MG
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leucine--tRNA ligase (EC 6.1.1.4) | protein | 870 | 40% helix, 21% strand | B4RNT1 |
Ligands and binding sites
- USB · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-4-methyl-pentanoate · ligand · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- ZN · Zinc ion · metal · chains A
- MG · Magnesium ion · metal
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 616 | 0.72 | 0.79 | 82 | USB |
| 2 | 364 | 0.64 | 0.79 | 36 | ATP |
| 3 | 60 | 0.49 | 0.86 | 15 | empty |
| 4 | 137 | 0.47 | 0.78 | 20 | empty |
| 5 | 85 | 0.45 | 0.80 | 19 | empty |
Compared structures
- 7NU8 · Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with the Reaction… · the same entry in another collection · chain A against A, TM-score 1.00
- B4RNT1 · AlphaFold monomer V2.0 prediction for leucine--tRNA ligase (B4RNT1) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 B4RNT1
- Elsewhere: RCSB PDB 7NU8 · PDBe 7NU8 · UniProt B4RNT1
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