MolNFT v1 · #90791 · protein
Crystal structure of peld 158-ct from pseudomonas aeruginosa PAO1
4ETZ: “Crystal structure of peld 158-ct from pseudomonas aeruginosa PAO1”. X-ray diffraction, 1 ligand (C2E), 10 pockets (best druggability 0.70). MolNFT v1 #90791 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4ETZ
- Type
- protein
- Length
- 574 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peld
- UniProt
- Q9HZE7
- Ligands
- C2E
- Pockets
- 10 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peld | protein | 285 | 42% helix, 20% strand | Q9HZE7 |
| B | Peld | protein | 289 | 40% helix, 20% strand | Q9HZE7 |
Ligands and binding sites
- C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 551 | 0.70 | 0.80 | 50 | empty |
| 2 | 225 | 0.66 | 0.84 | 37 | empty |
| 3 | 132 | 0.52 | 0.81 | 23 | empty |
| 4 | 150 | 0.49 | 0.78 | 21 | empty |
| 5 | 150 | 0.49 | 0.78 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1081 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4ETZ · Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1 · 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 Q9HZE7
- Elsewhere: RCSB PDB 4ETZ · PDBe 4ETZ · UniProt Q9HZE7
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