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MolNFT v1 · #97453 · protein

Crystal structure of mbp fused human SPLUNC1

4KEG · Maltose-binding PERIPLASMIC/PALATE lung and nasal…: “Crystal structure of mbp fused human SPLUNC1”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.61). MolNFT v1 #97453 on GenesisL1: 3D structure, binding sites and…

PDB
4KEG
Type
protein
Length
535 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltose-binding PERIPLASMIC/PALATE lung and nasal epithelium clone fusion protein
UniProt
P0AEX9, Q9NP55
Ligands
MG
Pockets
4 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltose-binding PERIPLASMIC/PALATE lung and nasal epithelium clone fusion proteinprotein53542% helix, 23% strandP0AEX9, Q9NP55

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • BOG · octyl beta-D-glucopyranoside · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11210.610.8523empty
23710.590.7645empty
33280.530.7432empty
4730.310.7316empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4KEG · Crystal Structure of MBP Fused Human SPLUNC1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NP55 · AlphaFold monomer V2.0 prediction for bpi fold-containing family a member 1 (Q9NP55) · a predicted model of the same protein · chain A against A, TM-score 0.30

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