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MolNFT v1 · #98857 · protein

Light harvesting complex PC612 from the cryptophyte hemiselmis virescens M1635

4LM6 · Cryptophyte phycocyanin alpha chain: “Light harvesting complex PC612 from the cryptophyte hemiselmis virescens M1635”. X-ray diffraction, 2 ligands (CYC, DBV), 6 pockets (best druggability 0.75). MolNFT v1 #98857 on GenesisL1: 3D…

PDB
4LM6
Type
protein
Length
476 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cryptophyte phycocyanin alpha chain; Cryptophyte phycocyanin beta chain
Ligands
CYC, DBV
Pockets
6 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 63% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CCryptophyte phycocyanin alpha chainprotein6216% helix, 29% strand—
BCryptophyte phycocyanin beta chainprotein17771% helix, 2% strand—
DCryptophyte phycocyanin beta chainprotein17573% helix, 2% strand—

Ligands and binding sites

  • CYC · Phycocyanobilin · ligand · 6 copies · chains A, B, C, D
  • DBV · 15,16-dihydrobiliverdin · ligand · 2 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19060.750.7998empty
25150.720.8153CYC
32040.630.8335CYC
41870.630.8335CYC
51560.560.8221CYC

Interfaces

5 interfaces between chains.

  • A–B · 1899 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 1859 Ų buried · 17 hydrogen bonds · protein-protein
  • A–D · 341 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 329 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 119 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 cofactor, 4 covalent (phycocyanobilin attachment, covalent ligand).

Compared structures

  • 4LM6 · Light harvesting complex PC612 from the cryptophyte Hemiselmis virescens M1635 · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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