MolNFT v1 · #111792 · protein
Structure of H204A mutant KDO8PS from H.PYLORI
4Z1B · 2-dehydro-3-deoxyphosphooctonate aldolase: “Structure of H204A mutant KDO8PS from H.PYLORI”. X-ray diffraction, 4 pockets (best druggability 0.84). MolNFT v1 #111792 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Z1B
- Type
- protein
- Length
- 513 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-dehydro-3-deoxyphosphooctonate aldolase
- EC
- 2.5.1.55
- UniProt
- P56060
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-dehydro-3-deoxyphosphooctonate aldolase (EC 2.5.1.55) | protein | 256 | 41% helix, 19% strand | P56060 |
| B | 2-dehydro-3-deoxyphosphooctonate aldolase (EC 2.5.1.55) | protein | 257 | 42% helix, 19% strand | P56060 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1167 | 0.84 | 0.85 | 105 | empty |
| 2 | 238 | 0.64 | 0.82 | 39 | empty |
| 3 | 64 | 0.32 | 0.76 | 18 | empty |
| 4 | 58 | 0.29 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1537 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
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 P56060
- Elsewhere: RCSB PDB 4Z1B · PDBe 4Z1B · UniProt P56060
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