MolNFT v1 · #74234 · protein + DNA
Structure of ccpa-hpr-SER46P-ACKA2 complex
3OQM · Catabolite control protein a: “Structure of ccpa-hpr-SER46P-ACKA2 complex”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.74). MolNFT v1 #74234 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OQM
- Type
- protein + DNA
- Length
- 870 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catabolite control protein a; Phosphocarrier protein hpr…
- EC
- 2.7.11.-
- UniProt
- P25144, P08877
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Catabolite control protein a | protein | 332 | 46% helix, 15% strand | P25144 |
| S, D | Phosphocarrier protein hpr (EC 2.7.11.-) | protein | 87 | 37% helix, 25% strand | P08877 |
| E | 5'-D(*TP*TP*GP*TP*AP*AP*GP*CP*GP*TP*TP*AP*TP*CP*AP*A)-3' | dna | 16 | — | — |
| B | 5'-D(*TP*TP*GP*AP*TP*AP*AP*CP*GP*CP*TP*TP*AP*CP*AP*A)-3' | dna | 16 | — | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, S, 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 719 | 0.74 | 0.80 | 70 | empty |
| 2 | 568 | 0.72 | 0.80 | 65 | empty |
| 3 | 272 | 0.67 | 0.83 | 41 | empty |
| 4 | 252 | 0.57 | 0.78 | 33 | empty |
| 5 | 151 | 0.56 | 0.82 | 28 | empty |
Interfaces
10 interfaces between chains.
- A–C · 2234 Ų buried · 32 hydrogen bonds · protein-protein
- E–B · 696 Ų buried · 65 hydrogen bonds · nucleic-nucleic
- C–D · 674 Ų buried · 6 hydrogen bonds · protein-protein
- A–S · 636 Ų buried · 6 hydrogen bonds · protein-protein
- C–E · 553 Ų buried · 8 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 3OQM · structure of ccpa-hpr-ser46p-ackA2 complex · the same entry in another collection · chain D against D, TM-score 1.00
- P25144 · AlphaFold monomer V2.0 prediction for catabolite control protein a (P25144) · a predicted model of the same protein · chain C against A, TM-score 0.99
- P08877 · AlphaFold monomer V2.0 prediction for phosphocarrier protein hpr (P08877) · a predicted model of the same protein · chain S against A, TM-score 0.98
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 P25144
- Every structure of UniProt P08877
- Elsewhere: RCSB PDB 3OQM · PDBe 3OQM · UniProt P25144 · UniProt P08877
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