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MolNFT v1 · #73251 · protein

The soluble domain structure of the zntb ZN2+ efflux system

3NWI · Zinc transport protein zntb: “The soluble domain structure of the zntb ZN2+ efflux system”. X-ray diffraction, 1 ligand (ZN), 14 pockets (best druggability 0.72). MolNFT v1 #73251 on GenesisL1: 3D structure, binding sites and…

PDB
3NWI
Type
protein
Length
1,238 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Zinc transport protein zntb
UniProt
Q9EYX5
Ligands
ZN
Pockets
14 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 49% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AZinc transport protein zntbprotein24548% helix, 17% strandQ9EYX5
BZinc transport protein zntbprotein24749% helix, 17% strandQ9EYX5
C, DZinc transport protein zntbprotein24947% helix, 17% strandQ9EYX5
EZinc transport protein zntbprotein24849% helix, 17% strandQ9EYX5

Ligands and binding sites

  • ZN · Zinc ion · metal · 15 copies · chains A, B, C, D, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12820.720.8633empty
22670.720.8634ZN
35180.710.8163empty
42910.710.8531ZN
53090.710.8433empty

Interfaces

5 interfaces between chains.

  • D–E · 817 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 813 Ų buried · 8 hydrogen bonds · protein-protein
  • B–E · 781 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 779 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 777 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3NWI · The Soluble Domain Structure of the ZntB Zn2+ Efflux System · the same entry in another collection · chain E against E, TM-score 1.00
  • Q9EYX5 · AlphaFold monomer V2.0 prediction for zinc transport protein zntb (Q9EYX5) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

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