MolNFT v1 · #103305 · protein
Crystal structure of mtbaldr (RV2779C)
4PCQ · Possible transcriptional regulatory protein (probably…: “Crystal structure of mtbaldr (RV2779C)”. X-ray diffraction, 6 pockets (best druggability 0.77). MolNFT v1 #103305 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4PCQ
- Type
- protein
- Length
- 589 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible transcriptional regulatory protein (probably LRP/ASNC-family)
- UniProt
- O33321
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible transcriptional regulatory protein (probably LRP/ASNC-family) | protein | 148 | 40% helix, 26% strand | O33321 |
| B | Possible transcriptional regulatory protein (probably LRP/ASNC-family) | protein | 149 | 39% helix, 26% strand | O33321 |
| C | Possible transcriptional regulatory protein (probably LRP/ASNC-family) | protein | 147 | 44% helix, 29% strand | O33321 |
| D | Possible transcriptional regulatory protein (probably LRP/ASNC-family) | protein | 145 | 34% helix, 29% strand | O33321 |
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 959 | 0.77 | 0.79 | 78 | empty |
| 2 | 450 | 0.69 | 0.81 | 57 | empty |
| 3 | 177 | 0.68 | 0.87 | 31 | empty |
| 4 | 286 | 0.64 | 0.81 | 49 | empty |
| 5 | 388 | 0.63 | 0.78 | 45 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2498 Ų buried · 47 hydrogen bonds · protein-protein
- A–B · 2294 Ų buried · 48 hydrogen bonds · protein-protein
- B–C · 350 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 297 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 273 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4PCQ · Crystal Structure of MtbAldR (Rv2779c) · 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 O33321
- Elsewhere: RCSB PDB 4PCQ · PDBe 4PCQ · UniProt O33321
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