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Photosynthetic reaction center mutant with TRP M115 replaced with phe (chain M, WM115F) phe M197 replaced with arg (chain M, FM197R)

Analyse Photosynthetic reaction center mutant with TRP M115 replaced with phe (chain M… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1E6D
Type
protein
Length
823 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Photosynthetic reaction center H subunit; Photosynthetic reaction center L subunit…
UniProt
P11846, P02954, P02953
Ligands
BCL, BPH, U10, SPN, FE, PO4
Pockets
13 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 52% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HPhotosynthetic reaction center H subunitprotein24025% helix, 24% strandP11846
LPhotosynthetic reaction center L subunitprotein28163% helix, 4% strandP02954
MPhotosynthetic reaction center M subunitprotein30263% helix, 4% strandP02953

Ligands and binding sites

  • BCL · Bacteriochlorophyll A · ligand · 4 copies · chains L, M
  • BPH · Bacteriopheophytin A · ligand · 2 copies · chains L, M
  • U10 · Ubiquinone-10 · ligand · 2 copies · chains L, M
  • SPN · Speroidenone · ligand · chains M
  • FE · Fe (III) ion · metal · chains L, M
  • PO4 · Phosphate ion · ion · 2 copies · chains L, M
  • LDA · Lauryl dimethylamine-N-oxide · additive · 7 copies · chains H, L, M

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

Pockets

13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16720.800.8452BCL
21100.760.9631empty
31440.720.9020U10
41440.610.8428empty
51090.600.8520empty

Interfaces

3 interfaces between chains.

  • L–M · 4518 Ų buried · 70 hydrogen bonds · protein-protein
  • H–M · 2840 Ų buried · 42 hydrogen bonds · protein-protein
  • H–L · 1589 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 1E6D · Photosynthetic reaction center mutant with TRP M115 replaced with phe (chain M, WM115F)… · the same entry in another collection · chain H against H, TM-score 1.00

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