MolNFT v1 · #50366 · protein
Apo- crystal structure of a periplasmic heme binding protein from shigella dysenteriae
2RG7: “Apo- crystal structure of a periplasmic heme binding protein from shigella dysenteriae”. X-ray diffraction, 8 pockets (best druggability 0.78). MolNFT v1 #50366 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2RG7
- Type
- protein
- Length
- 1,020 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Periplasmic heme binding protein
- UniProt
- O70018
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Periplasmic heme binding protein | protein | 255 | 45% helix, 18% strand | O70018 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1174 | 0.78 | 0.80 | 131 | empty |
| 2 | 336 | 0.72 | 0.85 | 56 | empty |
| 3 | 599 | 0.70 | 0.79 | 47 | empty |
| 4 | 421 | 0.70 | 0.81 | 42 | empty |
| 5 | 307 | 0.68 | 0.83 | 56 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1160 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 1140 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 684 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 139 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 28 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2RG7 · Apo- Crystal Structure of a Periplasmic Heme Binding Protein from Shigella dysenteriae · the same entry in another collection · chain A against A, TM-score 1.00
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 O70018
- Elsewhere: RCSB PDB 2RG7 · PDBe 2RG7 · UniProt O70018
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