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MolNFT v1 · #153790 · protein

Crystal structure of phycocyanin from nostoc sp. R76DM

6JPR: “Crystal structure of phycocyanin from nostoc sp. R76DM”. X-ray diffraction, 2 ligands (CYC, NA), 20 pockets (best druggability 0.83). MolNFT v1 #153790 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6JPR
Type
protein
Length
2,004 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phycocyanin
Ligands
CYC, NA
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, I, KPhycocyaninprotein16278% helix, 0% strand—
B, D, F, H, J, LPhycocyaninprotein17274% helix, 0% strand—

Ligands and binding sites

  • CYC · Phycocyanobilin · ligand · 18 copies · chains A, F, B, G, C, D, K, E, I, L, H, J
  • NA · Sodium ion · metal · 5 copies · chains A, H, I, B, D, E, K, F
  • GOL · Glycerol · additive · 11 copies · chains B, G, C, D, E, H, J, 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
13280.830.9240CYC
23160.820.9238CYC
33060.820.9237CYC
43010.810.9238CYC
52940.810.9137CYC

Interfaces

30 interfaces between chains.

  • A–B · 1691 Ų buried · 17 hydrogen bonds · protein-protein
  • E–F · 1672 Ų buried · 18 hydrogen bonds · protein-protein
  • K–L · 1666 Ų buried · 17 hydrogen bonds · protein-protein
  • I–J · 1662 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 1650 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 6JPR · Crystal structure of Phycocyanin from Nostoc sp. R76DM · the same entry in another collection · chain A against A, TM-score 1.00

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