MolNFT v1 · #29358 · protein
Crystal structure of plasmodium falciparum fabz at 2.1 a
1Z6B · Fatty acid synthesis protein: “Crystal structure of plasmodium falciparum fabz at 2.1 a”. X-ray diffraction, 2 ligands (SO4, CL), 7 pockets (best druggability 0.80). MolNFT v1 #29358 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1Z6B
- Type
- protein
- Length
- 823 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid synthesis protein
- EC
- 4.2.1.-
- UniProt
- Q965D7
- Ligands
- SO4, CL
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 6 distinct chains · 21% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid synthesis protein (EC 4.2.1.-) | protein | 142 | 21% helix, 42% strand | Q965D7 |
| B | Fatty acid synthesis protein (EC 4.2.1.-) | protein | 132 | 22% helix, 41% strand | Q965D7 |
| C | Fatty acid synthesis protein (EC 4.2.1.-) | protein | 138 | 20% helix, 42% strand | Q965D7 |
| D | Fatty acid synthesis protein (EC 4.2.1.-) | protein | 132 | 22% helix, 39% strand | Q965D7 |
| E | Fatty acid synthesis protein (EC 4.2.1.-) | protein | 137 | 21% helix, 42% strand | Q965D7 |
| F | Fatty acid synthesis protein (EC 4.2.1.-) | protein | 142 | 21% helix, 43% strand | Q965D7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, B, E, C, F, D
- CL · Chloride ion · ion · 6 copies · chains A, B, C, D, E, F
- CAC · Cacodylate ion · additive · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1119 | 0.80 | 0.81 | 102 | SO4 |
| 2 | 64 | 0.68 | 0.95 | 24 | CAC, CL |
| 3 | 227 | 0.61 | 0.81 | 31 | CL, CAC |
| 4 | 69 | 0.61 | 0.90 | 22 | CL, CAC |
| 5 | 72 | 0.60 | 0.90 | 23 | CAC, CL |
Interfaces
6 interfaces between chains.
- E–F · 1357 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1351 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1303 Ų buried · 15 hydrogen bonds · protein-protein
- C–F · 1155 Ų buried · 21 hydrogen bonds · protein-protein
- B–E · 1148 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 1Z6B · Crystal structure of Plasmodium falciparum FabZ at 2.1 A · 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 Q965D7
- Elsewhere: RCSB PDB 1Z6B · PDBe 1Z6B · UniProt Q965D7
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