MolNFT v1 · #37911 · protein
The mutant A68C-D72C of deinococcus radiodurans N-acylamino acid racemase
2GGG: “The mutant A68C-D72C of deinococcus radiodurans N-acylamino acid racemase”. X-ray diffraction, 11 pockets (best druggability 0.78). MolNFT v1 #37911 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GGG
- Type
- protein
- Length
- 1,460 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acylamino acid racemase
- EC
- 5.1.1.10
- UniProt
- Q9RYA6
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | N-acylamino acid racemase (EC 5.1.1.10) | protein | 360 | 36% helix, 23% strand | Q9RYA6 |
| C, D | N-acylamino acid racemase (EC 5.1.1.10) | protein | 370 | 35% helix, 24% strand | Q9RYA6 |
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 762 | 0.78 | 0.82 | 90 | empty |
| 2 | 786 | 0.78 | 0.82 | 89 | empty |
| 3 | 337 | 0.71 | 0.84 | 39 | empty |
| 4 | 196 | 0.69 | 0.87 | 38 | empty |
| 5 | 188 | 0.68 | 0.87 | 37 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1247 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 1247 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1004 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2GGG · The mutant A68C-D72C of Deinococcus Radiodurans N-acylamino acid racemase · 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 Q9RYA6
- Elsewhere: RCSB PDB 2GGG · PDBe 2GGG · UniProt Q9RYA6
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