MolNFT v1 · #25434 · protein
Complex of enzyme iiamannose and the histidine-containing phosphocarrier protein hpr from escherichia COLI NMR, restrained regularized mean structure
1VRC · Pts system, mannose-specific iiab component: “Complex of enzyme iiamannose and the histidine-containing phosphocarrier protein hpr from escherichia COLI…”. Solution nmr, 1 ligand (PO3), 4 pockets (best druggability 0.50). MolNFT v1…
- PDB
- 1VRC
- Type
- protein
- Length
- 428 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pts system, mannose-specific iiab component; Phosphocarrier protein hpr
- EC
- 2.7.1.69
- UniProt
- P69797, P0AA04
- Ligands
- PO3
- Pockets
- 4 · best druggability 0.50
Structure
solution nmr · 2 distinct chains · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pts system, mannose-specific iiab component (EC 2.7.1.69) | protein | 129 | 47% helix, 16% strand | P69797 |
| C, D | Phosphocarrier protein hpr | protein | 85 | 33% helix, 27% strand | P0AA04 |
Ligands and binding sites
- PO3 · Phosphite ion · ion · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.50 | 0.82 | 18 | empty |
| 2 | 111 | 0.48 | 0.80 | 23 | empty |
| 3 | 51 | 0.33 | 0.78 | 17 | empty |
| 4 | 56 | 0.33 | 0.77 | 16 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1716 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 517 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 512 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 320 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 319 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1VRC · Complex of enzyme IIAmannose and the histidine-containing phosphocarrier protein HPr from… · the same entry in another collection · chain A against A, TM-score 1.00
- P69797 · AlphaFold monomer V2.0 prediction for pts system mannose-specific eiiab component (P69797) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P0AA04 · AlphaFold monomer V2.0 prediction for phosphocarrier protein hpr (P0AA04) · a predicted model of the same protein · chain C 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 P69797
- Every structure of UniProt P0AA04
- Elsewhere: RCSB PDB 1VRC · PDBe 1VRC · UniProt P69797 · UniProt P0AA04
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