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MolNFT v1 · #47040 · protein

Bence jones kwr protein- immunoglobulin light chain dimer, P4(3)2(1)2 crystal form

2OMN · Bence jones kwr protein - immunoglobulin light chain: “Bence jones kwr protein- immunoglobulin light chain dimer, P4(3)2(1)2 crystal form”. X-ray diffraction, 2 ligands (IPH, SO4), 5 pockets (best druggability 0.57). MolNFT v1…

PDB
2OMN
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, SO4
Pockets
5 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBence jones kwr protein - immunoglobulin light chainprotein2177% helix, 48% strand—

Ligands and binding sites

  • IPH · Phenol · ligand · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12360.570.7933empty
22090.570.8043empty
32080.560.7823SO4
42630.510.7536empty
51170.340.7318empty

Interfaces

1 interface between chains.

  • A–B · 1711 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 2OMN · Bence Jones KWR Protein- Immunoglobulin Light Chain Dimer, P4(3)2(1)2 Crystal Form · the same entry in another collection · chain A against A, TM-score 1.00

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