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MolNFT v1 · #180618 · protein

Crystal structure of the dib-rm protein

7L5L · Lipocalin family protein: “Crystal structure of the dib-rm protein”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.75). MolNFT v1 #180618 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7L5L
Type
protein
Length
313 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lipocalin family protein
UniProt
A0A768MZ64
Ligands
SO4
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALipocalin family proteinprotein15713% helix, 43% strandA0A768MZ64
BLipocalin family proteinprotein15613% helix, 44% strandA0A768MZ64

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1670.750.9920empty
21830.510.7829empty

Interfaces

1 interface between chains.

  • A–B · 881 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 7L5L · Crystal structure of the DiB-RM protein · the same entry in another collection · chain A against A, TM-score 1.00

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