MolNFT v1 · #79265 · protein
GBAA_1210 protein, a putative adenylate cyclase, from bacillus anthracis
3SY3: “GBAA_1210 protein, a putative adenylate cyclase, from bacillus anthracis”. X-ray diffraction, 1 ligand (PO4), 12 pockets (best druggability 0.68). MolNFT v1 #79265 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3SY3
- Type
- protein
- Length
- 704 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GBAA_1210 protein
- UniProt
- Q81TQ6
- Ligands
- PO4
- Pockets
- 12 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 28% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GBAA_1210 protein | protein | 176 | 28% helix, 45% strand | Q81TQ6 |
| B | GBAA_1210 protein | protein | 175 | 29% helix, 45% strand | Q81TQ6 |
| C | GBAA_1210 protein | protein | 177 | 28% helix, 45% strand | Q81TQ6 |
| D | GBAA_1210 protein | protein | 176 | 28% helix, 45% strand | Q81TQ6 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 344 | 0.68 | 0.82 | 48 | PO4 |
| 2 | 454 | 0.67 | 0.79 | 61 | PO4 |
| 3 | 341 | 0.67 | 0.81 | 47 | PO4 |
| 4 | 444 | 0.61 | 0.76 | 42 | PO4 |
| 5 | 227 | 0.61 | 0.81 | 44 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1063 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1025 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 513 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 3SY3 · GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis · 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 Q81TQ6
- Elsewhere: RCSB PDB 3SY3 · PDBe 3SY3 · UniProt Q81TQ6
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