MolNFT v1 · #148831 · protein
Crystal structure of a zinc-responsive marr family member, lactococcus lactis zitr
6FI9 · Transcriptional regulator zitr: “Crystal structure of a zinc-responsive marr family member, lactococcus lactis zitr”. X-ray diffraction, 1 ligand (ZN), 17 pockets (best druggability 0.77). MolNFT v1 #148831 on GenesisL1: 3D…
- PDB
- 6FI9
- Type
- protein
- Length
- 1,152 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator zitr
- UniProt
- A2RNS2
- Ligands
- ZN
- Pockets
- 17 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Transcriptional regulator zitr | protein | 144 | 62% helix, 6% strand | A2RNS2 |
Ligands and binding sites
- ZN · Zinc ion · metal · 16 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1091 | 0.77 | 0.79 | 79 | empty |
| 2 | 474 | 0.59 | 0.74 | 60 | empty |
| 3 | 268 | 0.58 | 0.78 | 22 | empty |
| 4 | 231 | 0.58 | 0.79 | 20 | empty |
| 5 | 261 | 0.57 | 0.78 | 24 | empty |
Interfaces
15 interfaces between chains.
- C–D · 2498 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 2480 Ų buried · 7 hydrogen bonds · protein-protein
- G–H · 2461 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 2409 Ų buried · 9 hydrogen bonds · protein-protein
- E–H · 1021 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6FI9 · Crystal Structure of a zinc-responsive MarR family member, Lactococcus lactis ZitR · the same entry in another collection · chain E against E, TM-score 1.00
- A2RNS2 · AlphaFold monomer V2.0 prediction for transcriptional regulator zitr (A2RNS2) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 A2RNS2
- Elsewhere: RCSB PDB 6FI9 · PDBe 6FI9 · UniProt A2RNS2
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