MolNFT v1 · #37861 · protein
Crystal structure of aclr a putative hydroxylase from streptomyces galilaeus
2GEY · Aclr protein: “Crystal structure of aclr a putative hydroxylase from streptomyces galilaeus”. X-ray diffraction, 2 pockets (best druggability 0.85). MolNFT v1 #37861 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GEY
- Type
- protein
- Length
- 573 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aclr protein
- UniProt
- Q1XDX7
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aclr protein | protein | 157 | 37% helix, 37% strand | Q1XDX7 |
| B, D | Aclr protein | protein | 133 | 30% helix, 44% strand | Q1XDX7 |
| C | Aclr protein | protein | 150 | 34% helix, 39% strand | Q1XDX7 |
Ligands and binding sites
- GOL · Glycerol · additive · 5 copies · chains A, B, C, D
- PG4 · Tetraethylene glycol · additive · 4 copies · chains A, B, C, D
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1081 | 0.85 | 0.85 | 96 | PG4, GOL |
| 2 | 1115 | 0.83 | 0.83 | 98 | PG4, GOL |
Interfaces
3 interfaces between chains.
- C–D · 1424 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1394 Ų buried · 28 hydrogen bonds · protein-protein
- A–D · 617 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 2GEY · Crystal Structure of AclR a putative hydroxylase from Streptomyces galilaeus · 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 Q1XDX7
- Elsewhere: RCSB PDB 2GEY · PDBe 2GEY · UniProt Q1XDX7
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