MolNFT v1 · #141748 · protein
Crystal structure of the padr-family transcriptional regulator RV3488 of mycobacterium tuberculosis H37RV in complex with zinc ion
5ZHV: “Crystal structure of the padr-family transcriptional regulator RV3488 of mycobacterium tuberculosis H37RV in…”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.33). MolNFT v1 #141748 on GenesisL1: 3D structure…
- PDB
- 5ZHV
- Type
- protein
- Length
- 204 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator
- UniProt
- I6X7F9
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.33
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transcriptional regulator | protein | 102 | 65% helix, 17% strand | I6X7F9 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.33 | 0.75 | 16 | empty |
| 2 | 71 | 0.31 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1660 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 5ZHV · 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 0.87
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 5ZHV · PDBe 5ZHV · UniProt I6X7F9
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