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MolNFT v1 · #32598 · protein

The crystal structure of phycocyanin from gracilaria chilensis.

2BV8 · C-phycocyanin alpha subunit: “The crystal structure of phycocyanin from gracilaria chilensis.”. X-ray diffraction, 2 ligands (CYC, PEB), 20 pockets (best druggability 0.83). MolNFT v1 #32598 on GenesisL1: 3D structure, binding sites…

PDB
2BV8
Type
protein
Length
2,004 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
C-phycocyanin alpha subunit; C-phycocyanin beta subunit
UniProt
Q6B8L6, Q6B8L7
Ligands
CYC, PEB
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, K, M, OC-phycocyanin alpha subunitprotein16278% helix, 0% strandQ6B8L6
B, D, F, L, N, PC-phycocyanin beta subunitprotein17276% helix, 0% strandQ6B8L7

Ligands and binding sites

  • CYC · Phycocyanobilin · ligand · 17 copies · chains A, F, B, C, D, O, E, M, K, P, L, N
  • PEB · Phycoerythrobilin · ligand · chains A, B, K

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13150.830.9340CYC
23020.820.9238CYC
33190.810.9139CYC
43210.810.9140CYC
53050.800.9138CYC

Interfaces

30 interfaces between chains.

  • E–F · 1630 Ų buried · 17 hydrogen bonds · protein-protein
  • K–L · 1630 Ų buried · 18 hydrogen bonds · protein-protein
  • O–P · 1626 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 1626 Ų buried · 17 hydrogen bonds · protein-protein
  • M–N · 1582 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 cofactor, 6 modified (phycocyanobilin attachment, nonstandard, phycoerythrobilin attachment).

Compared structures

  • 2BV8 · The crystal structure of Phycocyanin from Gracilaria chilensis. · the same entry in another collection · chain A against A, TM-score 1.00

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