MolNFT v1 · #49013 · protein
Structure of the 2TEL crystallization module fused to T4 lysozyme with a helical linker.
2QAR · E80-telsam domain: “Structure of the 2TEL crystallization module fused to T4 lysozyme with a helical linker.”. X-ray diffraction, 2 ligands (NO3, NH4), 3 pockets (best druggability 0.48). MolNFT v1 #49013 on GenesisL1: 3D structure…
- PDB
- 2QAR
- Type
- protein
- Length
- 682 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E80-telsam domain; Telsam domain; Lysozyme
- EC
- 3.2.1.17
- Ligands
- NO3, NH4
- Pockets
- 3 · best druggability 0.48
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E80-telsam domain | protein | 86 | 51% helix, 0% strand | — |
| B, E | Telsam domain | protein | 93 | 69% helix, 0% strand | — |
| C, F | Lysozyme (EC 3.2.1.17) | protein | 163 | 60% helix, 7% strand | — |
| D | E80-telsam domain | protein | 84 | 52% helix, 0% strand | — |
Ligands and binding sites
- NO3 · Nitrate ion · ion · 8 copies · chains A, B, D, E
- NH4 · Ammonium ion · ion · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 235 | 0.48 | 0.74 | 35 | empty |
| 2 | 232 | 0.48 | 0.74 | 29 | empty |
| 3 | 95 | 0.43 | 0.78 | 20 | NO3 |
Interfaces
4 interfaces between chains.
- A–B · 831 Ų buried · 16 hydrogen bonds · protein-protein
- D–E · 714 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 57 Ų buried · 2 hydrogen bonds · protein-protein
- E–F · 56 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2QAR · Structure of the 2TEL crystallization module fused to T4 lysozyme with a helical linker. · 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
- Elsewhere: RCSB PDB 2QAR · PDBe 2QAR
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