MolNFT v1 · #56456 · protein
Crystal structure of pex from synechococcus sp. (strain pcc 7942) (anacystis nidulans R2)
2ZFW: “Crystal structure of pex from synechococcus sp. (strain pcc 7942) (anacystis nidulans R2)”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.69). MolNFT v1 #56456 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2ZFW
- Type
- protein
- Length
- 448 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pex
- UniProt
- O66226
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E | Pex | protein | 112 | 48% helix, 13% strand | O66226 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 495 | 0.69 | 0.79 | 41 | SO4 |
| 2 | 313 | 0.62 | 0.79 | 27 | SO4 |
| 3 | 154 | 0.55 | 0.81 | 20 | SO4 |
| 4 | 241 | 0.49 | 0.74 | 27 | empty |
| 5 | 242 | 0.47 | 0.73 | 30 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1114 Ų buried · 1 hydrogen bond · protein-protein
- D–E · 1048 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 454 Ų buried · 1 hydrogen bond · protein-protein
- A–E · 391 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2ZFW · Crystal structure of Pex from Synechococcus sp. (strain PCC 7942) (Anacystis nidulans R2) · the same entry in another collection · chain E against E, 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 O66226
- Elsewhere: RCSB PDB 2ZFW · PDBe 2ZFW · UniProt O66226
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