MolNFT v1 · #164714 · protein
Crystal structure of klebsiella pneumoniae FABG2(NADH-dependent) at 1.57 a resolution
6T6P · 3-oxoacyl-[acyl-carrier protein] reductase: “Crystal structure of klebsiella pneumoniae FABG2(NADH-dependent) at 1.57 a resolution”. X-ray diffraction, 1 ligand (PO4), 11 pockets (best druggability 0.84). MolNFT v1 #164714 on…
- PDB
- 6T6P
- Type
- protein
- Length
- 980 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier protein] reductase
- EC
- 1.1.1.100
- UniProt
- W8VGR4
- Ligands
- PO4
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 245 | 49% helix, 17% strand | W8VGR4 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 21 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1191 | 0.84 | 0.85 | 98 | GOL |
| 2 | 632 | 0.72 | 0.79 | 62 | GOL |
| 3 | 438 | 0.70 | 0.81 | 44 | GOL |
| 4 | 427 | 0.69 | 0.80 | 43 | empty |
| 5 | 469 | 0.69 | 0.79 | 43 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1848 Ų buried · 26 hydrogen bonds · protein-protein
- C–D · 1842 Ų buried · 26 hydrogen bonds · protein-protein
- B–D · 1377 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 1367 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 53 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6T6P · Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution · 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 W8VGR4
- Elsewhere: RCSB PDB 6T6P · PDBe 6T6P · UniProt W8VGR4
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