Research workbench
Crystal structure of a putative ketoacyl reductase (FABG4) from mycobacterium tuberculosis H37RV at 1.9 ångström resolution
Analyse Crystal structure of a putative ketoacyl reductase (FABG4) from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3V1T
- Type
- protein
- Length
- 816 residues
- Chains
- 2
- 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
- O53665
- Pockets
- 9 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | 3-oxoacyl-(acyl-carrier-protein) reductase (EC 1.1.1.100) | protein | 407 | 42% helix, 19% strand | O53665 |
| D | 3-oxoacyl-(acyl-carrier-protein) reductase (EC 1.1.1.100) | protein | 409 | 42% helix, 19% strand | O53665 |
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1023 | 0.75 | 0.78 | 60 | empty |
| 2 | 124 | 0.70 | 0.91 | 26 | empty |
| 3 | 143 | 0.69 | 0.89 | 26 | empty |
| 4 | 630 | 0.65 | 0.75 | 73 | empty |
| 5 | 393 | 0.59 | 0.76 | 51 | empty |
Interfaces
1 interface between chains.
- C–D · 2825 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 3V1T · Crystal structure of a putative ketoacyl reductase (FabG4) from Mycobacterium… · the same entry in another collection · chain C against C, 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 O53665
- Elsewhere: RCSB PDB 3V1T · PDBe 3V1T · UniProt O53665
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