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MolNFT v1 · #125890 · protein

Llama nanobody PORM_19

5LMJ: “Llama nanobody PORM_19”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.63). MolNFT v1 #125890 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5LMJ
Type
protein
Length
492 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nanobody
Ligands
PO4
Pockets
5 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DNanobodyprotein1235% helix, 54% strand—

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 11 copies · chains A, D, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14240.630.7745PO4
22180.550.7826PO4
31960.470.7525PO4
41520.460.7737empty
5550.250.7317empty

Interfaces

4 interfaces between chains.

  • B–D · 866 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 566 Ų buried · 9 hydrogen bonds · protein-protein
  • A–D · 520 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 415 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5LMJ · Llama nanobody PorM_19 · the same entry in another collection · chain A against A, TM-score 1.00

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