Research workbench
Putative sdr from acinetobacter baumannii crystal form 2
Analyse Putative sdr from acinetobacter baumannii crystal form 2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6PZN
- Type
- protein
- Length
- 977 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
- 8 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | 3-ketoacyl-acp reductase (EC 1.-.-.-) | protein | 247 | 50% helix, 16% strand | A0A1S2FVD8 |
| B | 3-ketoacyl-acp reductase (EC 1.-.-.-) | protein | 241 | 50% helix, 16% strand | A0A1S2FVD8 |
| D | 3-ketoacyl-acp reductase (EC 1.-.-.-) | protein | 242 | 49% helix, 15% strand | A0A1S2FVD8 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.79 | 0.81 | 128 | empty |
| 2 | 612 | 0.71 | 0.79 | 59 | empty |
| 3 | 650 | 0.71 | 0.78 | 60 | empty |
| 4 | 526 | 0.69 | 0.79 | 46 | empty |
| 5 | 149 | 0.44 | 0.76 | 34 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1625 Ų buried · 28 hydrogen bonds · protein-protein
- A–C · 1616 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 1566 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1565 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6PZN · Putative SDR from Acinetobacter baumannii Crystal Form 2 · the same entry in another collection · chain D against D, 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 6PZN · PDBe 6PZN · UniProt A0A1S2FVD8
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