MolNFT v1 · #156317 · protein
The structure of hitb-hitd complex
6M01 · Putative ATP-dependent B-aminoacyl-acp synthetase: “The structure of hitb-hitd complex”. X-ray diffraction, 2 ligands (ADP, 9EF), 2 pockets (best druggability 0.88). MolNFT v1 #156317 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6M01
- Type
- protein
- Length
- 568 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ATP-dependent B-aminoacyl-acp synthetase; Putative acp
- UniProt
- A0A0F7R6G7, A0A0F7R2R9
- Ligands
- ADP, 9EF
- Pockets
- 2 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ATP-dependent B-aminoacyl-acp synthetase | protein | 490 | 29% helix, 27% strand | A0A0F7R6G7 |
| B | Putative acp | protein | 78 | 55% helix, 0% strand | A0A0F7R2R9 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- 9EF · N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide · ligand · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1148 | 0.88 | 0.89 | 121 | ADP, 9EF |
| 2 | 117 | 0.41 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1029 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6M01 · The structure of HitB-HitD complex · 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 A0A0F7R6G7
- Every structure of UniProt A0A0F7R2R9
- Elsewhere: RCSB PDB 6M01 · PDBe 6M01 · UniProt A0A0F7R6G7 · UniProt A0A0F7R2R9
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