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MolNFT v1 · #116638 · protein

Crystal structure of LOV2 (C450A) domain in complex with ZDK2

5DJT · NPH1-2: “Crystal structure of LOV2 (C450A) domain in complex with ZDK2”. X-ray diffraction, 3 ligands (FMN, CU, CL), 1 pocket (best druggability 0.69). MolNFT v1 #116638 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5DJT
Type
protein
Length
203 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NPH1-2; Engineered protein, ZDK2 affibody
UniProt
O49004
Ligands
FMN, CU, CL
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANPH1-2protein14435% helix, 27% strandO49004
BEngineered protein, ZDK2 affibodyprotein5969% helix, 0% strand—

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · chains A
  • CU · Copper (II) ion · metal · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11820.690.8725FMN, CL

Interfaces

1 interface between chains.

  • A–B · 870 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5DJT · Crystal structure of LOV2 (C450A) domain in complex with Zdk2 · the same entry in another collection · chain A against A, TM-score 1.00

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