Research workbench
E.COLI (lacz) beta-galactosidase (R599A) in complex with iptg
Analyse E.COLI (lacz) beta-galactosidase (R599A) in complex with iptg in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MUZ
- Type
- protein
- Length
- 4,044 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-galactosidase
- EC
- 3.2.1.23
- UniProt
- B8LFD6
- Ligands
- IPT, NA, MG
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 1, 2, 3, 4 | Beta-galactosidase (EC 3.2.1.23) | protein | 1011 | 14% helix, 41% strand | B8LFD6 |
Ligands and binding sites
- IPT · 1-methylethyl 1-thio-beta-D-galactopyranoside · ligand · 8 copies · chains 1, 2, 4, 3
- NA · Sodium ion · metal · 16 copies · chains 1, 2, 3, 4
- MG · Magnesium ion · metal · 14 copies · chains 1, 3, 2, 4
- DMS · Dimethyl sulfoxide · additive · 150 copies · chains 1, 4, 2, 3
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 | 859 | 0.83 | 0.86 | 133 | DMS |
| 2 | 1151 | 0.82 | 0.83 | 127 | DMS |
| 3 | 803 | 0.79 | 0.83 | 73 | empty |
| 4 | 649 | 0.78 | 0.84 | 89 | DMS |
| 5 | 449 | 0.72 | 0.82 | 42 | DMS |
Interfaces
6 interfaces between chains.
- 1–4 · 2253 Ų buried · 29 hydrogen bonds · protein-protein
- 2–3 · 2234 Ų buried · 28 hydrogen bonds · protein-protein
- 1–2 · 2020 Ų buried · 32 hydrogen bonds · protein-protein
- 3–4 · 2013 Ų buried · 32 hydrogen bonds · protein-protein
- 1–3 · 145 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3MUZ · E.Coli (lacZ) beta-galactosidase (R599A) in complex with IPTG · the same entry in another collection · chain 1 against 1, 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 B8LFD6
- Elsewhere: RCSB PDB 3MUZ · PDBe 3MUZ · UniProt B8LFD6
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