MolNFT v1 · #175440 · protein
GMAS/ADP/METSOX-P complex
7CQU · Type III glutamate--ammonia ligase: “GMAS/ADP/METSOX-P complex”. X-ray diffraction, 3 ligands (ADP, P3S, MG), 11 pockets (best druggability 0.74). MolNFT v1 #175440 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CQU
- Type
- protein
- Length
- 1,287 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type III glutamate--ammonia ligase
- EC
- 6.3.1.2
- UniProt
- A0A369R1N0
- Ligands
- ADP, P3S, MG
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Type III glutamate--ammonia ligase (EC 6.3.1.2) | protein | 429 | 39% helix, 20% strand | A0A369R1N0 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
- P3S · L-methionine-S-sulfoximine phosphate · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 9 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 514 | 0.74 | 0.83 | 59 | empty |
| 2 | 251 | 0.71 | 0.86 | 44 | empty |
| 3 | 423 | 0.70 | 0.82 | 57 | MG, ADP, P3S |
| 4 | 190 | 0.58 | 0.81 | 39 | MG, ADP, P3S |
| 5 | 197 | 0.55 | 0.80 | 42 | MG, ADP, P3S |
Interfaces
3 interfaces between chains.
- A–C · 1714 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1541 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 83 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7CQU · GmaS/ADP/MetSox-P complex · 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 A0A369R1N0
- Elsewhere: RCSB PDB 7CQU · PDBe 7CQU · UniProt A0A369R1N0
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