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MolNFT v1 · #51003 · protein

Crystal structure of C-phycocyanin from phormidium, lyngbya spp. (marine) and spirulina sp. (fresh water) shows two different ways of energy transfer between two hexamers.

2UUM · C-phycocyanin alpha chain: “Crystal structure of C-phycocyanin from phormidium, lyngbya spp. (marine) and spirulina sp. (fresh water)…”. X-ray diffraction, 2 ligands (BLA, CYC), 20 pockets (best druggability 0.84). MolNFT v1 #51003…

PDB
2UUM
Type
protein
Length
4,008 residues
Chains
24
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
C-phycocyanin alpha chain; C-phycocyanin beta chain
UniProt
P72509, P72508
Ligands
BLA, CYC
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, I, K, M, O, Q, S, U, WC-phycocyanin alpha chainprotein16278% helix, 0% strandP72509
B, D, F, H, J, L, N, P, R, T, VC-phycocyanin beta chainprotein17276% helix, 0% strandP72508
XC-phycocyanin beta chainprotein17276% helix, 0% strandP72508

Ligands and binding sites

  • BLA · Biliverdine IX alpha · ligand · 24 copies · chains B, A, K, D, C, I, F, E, G, H, L, J, N, M, W, P, O, U, Q, R, S, T, V, X
  • CYC · Phycocyanobilin · ligand · 12 copies · chains A, D, C, F, B, E, G, J, H, K, M, P, O, R, N, Q, S, V, U, X, T, W

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
13330.840.9339CYC
23650.840.9237CYC
33410.830.9238CYC
43550.830.9239CYC
53420.830.9237CYC

Interfaces

67 interfaces between chains.

  • U–V · 1622 Ų buried · 14 hydrogen bonds · protein-protein
  • E–F · 1619 Ų buried · 14 hydrogen bonds · protein-protein
  • G–H · 1612 Ų buried · 12 hydrogen bonds · protein-protein
  • I–J · 1608 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 1608 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 28 cofactor (biliverdin attachment, phycocyanobilin attachment).

Compared structures

  • 2UUM · Crystal structure of C-phycocyanin from Phormidium, Lyngbya spp. (Marine) and Spirulina… · the same entry in another collection · chain J against J, TM-score 1.00

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