Research workbench
Crystal structure of D678N goxa bound to glycine
Analyse Crystal structure of D678N goxa bound to glycine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UFQ
- Type
- protein
- Length
- 3,127 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycine oxidase goxa
- UniProt
- A0A161XU12
- Ligands
- GLY, MG
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycine oxidase goxa | protein | 790 | 31% helix, 20% strand | A0A161XU12 |
| B | Glycine oxidase goxa | protein | 790 | 30% helix, 21% strand | A0A161XU12 |
| C | Glycine oxidase goxa | protein | 760 | 30% helix, 21% strand | A0A161XU12 |
| D | Glycine oxidase goxa | protein | 787 | 31% helix, 21% strand | A0A161XU12 |
Ligands and binding sites
- GLY · Glycine · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 475 | 0.85 | 0.92 | 57 | GLY |
| 2 | 482 | 0.84 | 0.91 | 52 | empty |
| 3 | 160 | 0.79 | 0.95 | 33 | empty |
| 4 | 646 | 0.78 | 0.83 | 65 | empty |
| 5 | 663 | 0.76 | 0.82 | 60 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3072 Ų buried · 64 hydrogen bonds · protein-protein
- C–D · 3045 Ų buried · 58 hydrogen bonds · protein-protein
- A–D · 2533 Ų buried · 41 hydrogen bonds · protein-protein
- B–C · 2509 Ų buried · 43 hydrogen bonds · protein-protein
- A–C · 289 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor).
Compared structures
- 6UFQ · Crystal structure of D678N GoxA bound to glycine · the same entry in another collection · chain B against B, 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 A0A161XU12
- Elsewhere: RCSB PDB 6UFQ · PDBe 6UFQ · UniProt A0A161XU12
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