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MolNFT v1 · #181053 · protein

CARSP1 and scaffolded phycoerythrin beta subunits from the phycobilisome of porphyridium purpureum

7LIX: “CARSP1 and scaffolded phycoerythrin beta subunits from the phycobilisome of porphyridium purpureum”. Electron microscopy, 1 ligand (PEB), 11 pockets (best druggability 0.76). MolNFT v1 #181053 on GenesisL1: 3D structure, binding…

PDB
7LIX
Type
protein
Length
721 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CARSP1; B-phycoerythrin beta chain
UniProt
A0A5J4YJY8, P11393
Ligands
PEB
Pockets
11 · best druggability 0.76

Structure

electron microscopy · 3 distinct chains · 54% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACARSP1protein20528% helix, 25% strandA0A5J4YJY8
BB-phycoerythrin beta chainprotein16269% helix, 2% strandP11393
C, DB-phycoerythrin beta chainprotein17769% helix, 3% strandP11393

Ligands and binding sites

  • PEB · Phycoerythrobilin · ligand · 9 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14050.760.8544PEB
23860.760.8642PEB
32390.730.8738PEB
41300.590.8521empty
52150.560.7933PEB

Interfaces

4 interfaces between chains.

  • A–C · 2457 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1955 Ų buried · 21 hydrogen bonds · protein-protein
  • A–D · 1807 Ų buried · 19 hydrogen bonds · protein-protein
  • B–C · 179 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 cofactor, 3 modified (phycoerythrobilin attachment, nonstandard).

Compared structures

  • 7LIX · CaRSP1 and scaffolded phycoerythrin beta subunits from the phycobilisome of Porphyridium… · the same entry in another collection · chain A against A, TM-score 1.00
  • P11393 · AlphaFold monomer V2.0 prediction for B-phycoerythrin beta chain (P11393) · a predicted model of the same protein · chain B against A, TM-score 0.88

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