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MolNFT v1 · #74294 · protein

X-ray structure of phycobilisome lcm core-membrane linker polypeptide (fragment 254-400) from synechocystis sp. pcc 6803, northeast structural genomics consortium target SGR209C

3OSJ: “X-ray structure of phycobilisome lcm core-membrane linker polypeptide (fragment 254-400) from synechocystis…”. X-ray diffraction, 2 ligands (NA, NO3), 6 pockets (best druggability 0.65). MolNFT v1 #74294 on GenesisL1: 3D structure…

PDB
3OSJ
Type
protein
Length
538 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phycobilisome lcm core-membrane linker polypeptide
UniProt
Q55544
Ligands
NA, NO3
Pockets
6 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 66% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DPhycobilisome lcm core-membrane linker polypeptideprotein13568% helix, 1% strandQ55544
BPhycobilisome lcm core-membrane linker polypeptideprotein13664% helix, 1% strandQ55544
CPhycobilisome lcm core-membrane linker polypeptideprotein13267% helix, 2% strandQ55544

Ligands and binding sites

  • NA · Sodium ion · metal · 7 copies · chains A, B, C, D
  • NO3 · Nitrate ion · ion · chains D

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16110.650.7656empty
23560.590.7640empty
31460.480.7823empty
41120.400.7514empty
51110.380.7419empty

Interfaces

4 interfaces between chains.

  • A–D · 454 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 400 Ų buried · 3 hydrogen bonds · protein-protein
  • C–D · 207 Ų buried · 2 hydrogen bonds · protein-protein
  • B–D · 132 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3OSJ · X-Ray Structure of Phycobilisome LCM core-membrane linker polypeptide (fragment 254-400)… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q55544 · AlphaFold monomer V2.0 prediction for phycobiliprotein apce (Q55544) · a predicted model of the same protein · chain A against A, TM-score 0.95

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