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MolNFT v1 · #180619 · protein

Crystal structure of the dib-rm-split protein

7L5M · Lipocalin family protein: “Crystal structure of the dib-rm-split protein”. X-ray diffraction, 2 ligands (NA, SO4), 1 pocket (best druggability 0.68). MolNFT v1 #180619 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7L5M
Type
protein
Length
151 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lipocalin family protein
UniProt
A0A768MZ64
Ligands
NA, SO4
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALipocalin family proteinprotein875% helix, 51% strandA0A768MZ64
BLipocalin family proteinprotein6425% helix, 31% strandA0A768MZ64

Ligands and binding sites

  • NA · Sodium ion · metal · chains B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B

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
12300.680.8428empty

Interfaces

1 interface between chains.

  • A–B · 1837 Ų buried · 40 hydrogen bonds · protein-protein

Compared structures

  • 7L5M · Crystal Structure of the DiB-RM-split Protein · the same entry in another collection · chain A against A, TM-score 1.00

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