MolNFT v1 · #10910 · protein
Complex of enzyme iiamtl and the histidine-containing phosphocarrier protein hpr from escherichia COLI NMR, restrained regularized mean structure
1J6T · Pts system, mannitol-specific iiabc component: “Complex of enzyme iiamtl and the histidine-containing phosphocarrier protein hpr from escherichia COLI NMR…”. Solution nmr, 1 ligand (PO3), 1 pocket (best druggability 0.53). MolNFT v1…
- PDB
- 1J6T
- Type
- protein
- Length
- 229 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pts system, mannitol-specific iiabc component; Phosphocarrier protein hpr
- UniProt
- P00550, P0AA04
- Ligands
- PO3
- Pockets
- 1 · best druggability 0.53
Structure
solution nmr · 2 distinct chains · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pts system, mannitol-specific iiabc component | protein | 144 | 46% helix, 19% strand | P00550 |
| B | Phosphocarrier protein hpr | protein | 85 | 35% helix, 27% strand | P0AA04 |
Ligands and binding sites
- PO3 · Phosphite ion · ion · chains A, 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 | 172 | 0.53 | 0.79 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 750 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1J6T · Complex of enzyme iiamtl and the histidine-containing phosphocarrier protein hpr from… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AA04 · AlphaFold monomer V2.0 prediction for phosphocarrier protein hpr (P0AA04) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P00550 · AlphaFold monomer V2.0 prediction for pts system mannitol-specific eiicba component… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P00550
- Every structure of UniProt P0AA04
- Elsewhere: RCSB PDB 1J6T · PDBe 1J6T · UniProt P00550 · UniProt P0AA04
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