MolNFT v1 · #190111 · protein
Crystal structure of the padr-family transcriptional regulator RV3488 of mycobacterium tuberculosis H37RV in complex with manganese ion
7WH4: “Crystal structure of the padr-family transcriptional regulator RV3488 of mycobacterium tuberculosis H37RV in…”. X-ray diffraction, 1 ligand (MN), 1 pocket (best druggability 0.63). MolNFT v1 #190111 on GenesisL1: 3D structure…
- PDB
- 7WH4
- Type
- protein
- Length
- 202 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator RV3488
- UniProt
- I6X7F9
- Ligands
- MN
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transcriptional regulator RV3488 | protein | 101 | 63% helix, 17% strand | I6X7F9 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 2 copies · 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 | 189 | 0.63 | 0.83 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 1496 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7WH4 · Crystal structure of the PadR-family transcriptional regulator Rv3488 of Mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
- I6X7F9 · AlphaFold monomer V2.0 prediction for transcriptional regulator RV3488 (I6X7F9) · a predicted model of the same protein · chain B against A, TM-score 0.85
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 I6X7F9
- Elsewhere: RCSB PDB 7WH4 · PDBe 7WH4 · UniProt I6X7F9
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