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MolNFT v1 · #177394 · protein

Cryo-EM structure of the hexameric state of C-phycocyanin from thermoleptolyngbya sp. O-77

7EH8 · C-phycocyanin alpha chain: “Cryo-EM structure of the hexameric state of C-phycocyanin from thermoleptolyngbya sp. O-77”. Electron microscopy, 1 ligand (CYC), 20 pockets (best druggability 0.84). MolNFT v1 #177394 on GenesisL1: 3D…

PDB
7EH8
Type
protein
Length
2,004 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
C-phycocyanin alpha chain; C-phycocyanin beta chain
UniProt
A0A0X8WU90, A0A0X8WUE0
Ligands
CYC
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 2 distinct chains · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, I, KC-phycocyanin alpha chainprotein16277% helix, 0% strandA0A0X8WU90
B, D, F, H, J, LC-phycocyanin beta chainprotein17275% helix, 0% strandA0A0X8WUE0

Ligands and binding sites

  • CYC · Phycocyanobilin · ligand · 18 copies · chains A, L, B, C, H, D, E, F, G, J, I, 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
13950.840.9240CYC
24060.840.9238CYC
33990.830.9138CYC
43930.830.9140CYC
54130.830.9140CYC

Interfaces

30 interfaces between chains.

  • I–J · 1598 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 1596 Ų buried · 12 hydrogen bonds · protein-protein
  • E–F · 1592 Ų buried · 12 hydrogen bonds · protein-protein
  • K–L · 1591 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 1590 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7EH8 · Cryo-EM structure of the hexameric state of C-phycocyanin from Thermoleptolyngbya sp. O-77 · the same entry in another collection · chain A against A, TM-score 1.00

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