MolNFT v1 · #160966 · protein
Putative sdr from acinetobacter baumannii crystal form 1
6PZM · 3-ketoacyl-acp reductase: “Putative sdr from acinetobacter baumannii crystal form 1”. X-ray diffraction, 10 pockets (best druggability 0.73). MolNFT v1 #160966 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6PZM
- Type
- protein
- Length
- 963 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-ketoacyl-acp reductase
- EC
- 1.-.-.-
- UniProt
- A0A1S2FVD8
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | 3-ketoacyl-acp reductase (EC 1.-.-.-) | protein | 240 | 51% helix, 16% strand | A0A1S2FVD8 |
| B | 3-ketoacyl-acp reductase (EC 1.-.-.-) | protein | 239 | 50% helix, 16% strand | A0A1S2FVD8 |
| C | 3-ketoacyl-acp reductase (EC 1.-.-.-) | protein | 244 | 50% helix, 16% strand | A0A1S2FVD8 |
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 392 | 0.73 | 0.84 | 70 | empty |
| 2 | 518 | 0.70 | 0.80 | 49 | empty |
| 3 | 274 | 0.69 | 0.84 | 48 | empty |
| 4 | 258 | 0.68 | 0.84 | 44 | empty |
| 5 | 64 | 0.42 | 0.81 | 17 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1636 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1623 Ų buried · 27 hydrogen bonds · protein-protein
- A–D · 1554 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 1549 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 27 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6PZM · Putative SDR from Acinetobacter baumannii Crystal Form 1 · 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 A0A1S2FVD8
- Elsewhere: RCSB PDB 6PZM · PDBe 6PZM · UniProt A0A1S2FVD8
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