MolNFT v1 · #65848 · protein
Structural basis for the autoregulation of the zinc transporter yiip
3H90 · Ferrous-iron efflux pump fief: “Structural basis for the autoregulation of the zinc transporter yiip”. X-ray diffraction, 2 ligands (ZN, HG), 18 pockets (best druggability 0.74). MolNFT v1 #65848 on GenesisL1: 3D structure, binding…
- PDB
- 3H90
- Type
- protein
- Length
- 1,132 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrous-iron efflux pump fief
- UniProt
- P69380
- Ligands
- ZN, HG
- Pockets
- 18 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ferrous-iron efflux pump fief | protein | 283 | 55% helix, 10% strand | P69380 |
Ligands and binding sites
- ZN · Zinc ion · metal · 16 copies · chains A, C, B, D
- HG · Mercury (II) ion · metal · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1037 | 0.74 | 0.77 | 93 | empty |
| 2 | 983 | 0.73 | 0.76 | 91 | empty |
| 3 | 804 | 0.71 | 0.77 | 81 | empty |
| 4 | 571 | 0.67 | 0.77 | 46 | empty |
| 5 | 135 | 0.56 | 0.82 | 20 | empty |
Interfaces
4 interfaces between chains.
- B–D · 2024 Ų buried · 32 hydrogen bonds · protein-protein
- A–C · 2011 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 479 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 109 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3H90 · Structural basis for the autoregulation of the zinc transporter YiiP · the same entry in another collection · chain D against D, TM-score 1.00
- P69380 · AlphaFold monomer V2.0 prediction for ferrous-iron efflux pump fief (P69380) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P69380
- Elsewhere: RCSB PDB 3H90 · PDBe 3H90 · UniProt P69380
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