MolNFT v1 · #162564 · protein
Mycobacterial 4'-phosphopantetheinyl transferase pptab in complex with the acp domain of ppsc.
6RCX · Possible 4'-phosphopantetheinyl transferase: “Mycobacterial 4'-phosphopantetheinyl transferase pptab in complex with the acp domain of ppsc.”. X-ray diffraction, 2 ligands (COA, MN), 1 pocket (best druggability 0.79). MolNFT v1…
- PDB
- 6RCX
- Type
- protein
- Length
- 292 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible 4'-phosphopantetheinyl transferase; Phthiocerol synthesis polyketide synthase…
- EC
- 2.3.1.41
- UniProt
- B1MD73, P96202
- Ligands
- COA, MN
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible 4'-phosphopantetheinyl transferase | protein | 217 | 31% helix, 29% strand | B1MD73 |
| B | Phthiocerol synthesis polyketide synthase type I ppsc (EC 2.3.1.41) | protein | 75 | 64% helix, 0% strand | P96202 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A, B
- MN · Manganese (II) ion · metal · 3 copies · chains A, B
- CAC · Cacodylate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.79 | 0.83 | 75 | COA, MN |
Interfaces
1 interface between chains.
- A–B · 646 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6RCX · Mycobacterial 4'-phosphopantetheinyl transferase PptAb in complex with the ACP domain of… · the same entry in another collection · chain A against A, TM-score 1.00
- P96202 · AlphaFold monomer V2.0 prediction for PHENOLPHTHIOCEROL/PHTHIOCEROL polyketide synthase… · a predicted model of the same protein · chain B against A, TM-score 0.92
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 B1MD73
- Every structure of UniProt P96202
- Elsewhere: RCSB PDB 6RCX · PDBe 6RCX · UniProt B1MD73 · UniProt P96202
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