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MolNFT v1 · #46999 · protein

Bence jones kwr protein- immunoglobulin light chain dimer, P3(2)21 crystal form

2OLD · Bence jones kwr protein - immunoglobulin light chain: “Bence jones kwr protein- immunoglobulin light chain dimer, P3(2)21 crystal form”. X-ray diffraction, 2 ligands (IPH, PO4), 6 pockets (best druggability 0.68). MolNFT v1 #46999…

PDB
2OLD
Type
protein
Length
434 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bence jones kwr protein - immunoglobulin light chain
Ligands
IPH, PO4
Pockets
6 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBence jones kwr protein - immunoglobulin light chainprotein2176% helix, 48% strand—

Ligands and binding sites

  • IPH · Phenol · ligand · chains A, B
  • PO4 · Phosphate ion · ion · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1510.680.9510IPH
24540.650.7867empty
32330.590.7922PO4
42540.490.7445PO4
5840.360.7618empty

Interfaces

1 interface between chains.

  • A–B · 1681 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide, 2 modified (disulfide, cyclization).

Compared structures

  • 2OLD · Bence Jones KWR Protein- Immunoglobulin Light Chain Dimer, P3(2)21 Crystal Form · the same entry in another collection · chain A against A, TM-score 1.00

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