Research workbench
Gmas in complex with amppnp and metsox
Analyse Gmas in complex with amppnp and metsox in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7CQQ
- 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
- ANP, MSL, MG
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Type III glutamate--ammonia ligase (EC 6.3.1.2) | protein | 429 | 38% helix, 21% strand | A0A369R1N0 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 3 copies · chains A, C, B
- MSL · (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid · ligand · 3 copies · chains A, C, B
- 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
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.71 | 0.82 | 53 | MG, ANP, MSL |
| 2 | 473 | 0.71 | 0.81 | 55 | MG, ANP, MSL |
| 3 | 693 | 0.70 | 0.77 | 66 | empty |
| 4 | 587 | 0.68 | 0.77 | 48 | empty |
| 5 | 208 | 0.58 | 0.81 | 42 | MG, ANP, MSL |
Interfaces
2 interfaces between chains.
- A–C · 1538 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 1532 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 7CQQ · GmaS in complex with AMPPNP and MetSox · the same entry in another collection · chain C against C, 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 7CQQ · PDBe 7CQQ · UniProt A0A369R1N0
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