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MolNFT v1 · #140660 · protein

Structure of lactococcus lactis zitr, C30AH42A mutant

5YI0 · Zinc transport transcriptional regulator: “Structure of lactococcus lactis zitr, C30AH42A mutant”. X-ray diffraction, 1 ligand (ZN), 7 pockets (best druggability 0.54). MolNFT v1 #140660 on GenesisL1: 3D structure, binding sites and…

PDB
5YI0
Type
protein
Length
584 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Zinc transport transcriptional regulator
UniProt
Q9CDU5
Ligands
ZN
Pockets
7 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, A, C, DZinc transport transcriptional regulatorprotein14659% helix, 8% strandQ9CDU5

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains B, A, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12770.540.7633empty
21100.460.7924empty
3550.450.8513empty
42160.450.7330empty
5530.390.8113empty

Interfaces

4 interfaces between chains.

  • A–C · 2185 Ų buried · 8 hydrogen bonds · protein-protein
  • A–D · 264 Ų buried · 3 hydrogen bonds · protein-protein
  • B–A · 258 Ų buried · 3 hydrogen bonds · protein-protein
  • C–D · 162 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 5YI0 · Structure of Lactococcus lactis ZitR, C30AH42A mutant · the same entry in another collection · chain B against B, TM-score 1.00

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