MolNFT v1 · #154487 · protein
X-ray structure of the mtlr-hpr complex from escherichia COLI
6KCR · Mannitol operon repressor: “X-ray structure of the mtlr-hpr complex from escherichia COLI”. X-ray diffraction, 3 pockets (best druggability 0.50). MolNFT v1 #154487 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6KCR
- Type
- protein
- Length
- 503 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannitol operon repressor; Phosphocarrier protein hpr
- UniProt
- P0AF10, P0AA04
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 3 distinct chains · 60% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mannitol operon repressor | protein | 169 | 66% helix, 0% strand | P0AF10 |
| B, D | Phosphocarrier protein hpr | protein | 85 | 35% helix, 27% strand | P0AA04 |
| C | Mannitol operon repressor | protein | 164 | 66% helix, 0% strand | P0AF10 |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.50 | 0.80 | 18 | empty |
| 2 | 98 | 0.49 | 0.81 | 20 | empty |
| 3 | 95 | 0.34 | 0.74 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 616 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 615 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 86 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6KCR · X-ray structure of the MtlR-HPr complex from Escherichia coli · 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 0.97
- P0AF10 · AlphaFold monomer V2.0 prediction for mannitol operon repressor (P0AF10) · a predicted model of the same protein · chain C 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 P0AF10
- Every structure of UniProt P0AA04
- Elsewhere: RCSB PDB 6KCR · PDBe 6KCR · UniProt P0AF10 · UniProt P0AA04
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