MolNFT v1 · #28012 · protein
Mycobacterial adenylyl cyclase RV1264, holoenzyme, inhibited state
1Y10 · Hypothetical protein RV1264/MT1302: “Mycobacterial adenylyl cyclase RV1264, holoenzyme, inhibited state”. X-ray diffraction, 1 ligand (CA), 20 pockets (best druggability 0.88). MolNFT v1 #28012 on GenesisL1: 3D structure, binding…
- PDB
- 1Y10
- Type
- protein
- Length
- 1,436 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein RV1264/MT1302
- EC
- 4.6.1.1
- UniProt
- Q11055
- Ligands
- CA
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein RV1264/MT1302 (EC 4.6.1.1) | protein | 360 | 52% helix, 18% strand | Q11055 |
| B | Hypothetical protein RV1264/MT1302 (EC 4.6.1.1) | protein | 357 | 51% helix, 16% strand | Q11055 |
| C | Hypothetical protein RV1264/MT1302 (EC 4.6.1.1) | protein | 363 | 52% helix, 17% strand | Q11055 |
| D | Hypothetical protein RV1264/MT1302 (EC 4.6.1.1) | protein | 356 | 52% helix, 17% strand | Q11055 |
Ligands and binding sites
- CA · Calcium ion · metal · 8 copies · chains A, B, D, C
- 1PE · Pentaethylene glycol · additive · 3 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, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 974 | 0.88 | 0.90 | 115 | CA |
| 2 | 880 | 0.87 | 0.90 | 99 | CA |
| 3 | 639 | 0.86 | 0.90 | 85 | CA |
| 4 | 241 | 0.84 | 0.96 | 44 | 1PE |
| 5 | 226 | 0.83 | 0.96 | 42 | 1PE |
Interfaces
6 interfaces between chains.
- C–D · 5742 Ų buried · 41 hydrogen bonds · protein-protein
- A–B · 5736 Ų buried · 41 hydrogen bonds · protein-protein
- A–D · 1209 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1155 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 96 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1Y10 · Mycobacterial adenylyl cyclase Rv1264, holoenzyme, inhibited state · 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 Q11055
- Elsewhere: RCSB PDB 1Y10 · PDBe 1Y10 · UniProt Q11055
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