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Photosynthetic reaction center double mutant from rhodobacter sphaeroides with asp L213 replaced with asn and arg M233 replaced with cys in the charge-neutral dqaqb state (trigonal form)

Analyse Photosynthetic reaction center double mutant from rhodobacter sphaeroides with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1RZH
Type
protein
Length
820 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reaction center protein L chain; Reaction center protein M chain; Reaction center protein…
UniProt
P02954, P02953, P11846
Ligands
BCL, BPH, U10, HTO, SPO, CDL, FE2, PO4
Pockets
10 · best druggability 0.82

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
LReaction center protein L chainprotein28162% helix, 4% strandP02954
MReaction center protein M chainprotein30164% helix, 4% strandP02953
HReaction center protein H chainprotein23826% helix, 25% strandP11846

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
  • HTO · Heptane-1,2,3-triol · ligand · 2 copies · chains L, M
  • SPO · Spheroidene · ligand · chains M
  • CDL · Cardiolipin · ligand · chains L, M, H
  • FE2 · Fe (II) ion · metal · chains L, M
  • PO4 · Phosphate ion · ion · chains M
  • LDA · Lauryl dimethylamine-N-oxide · additive · 3 copies · chains L, M, H
  • GOL · Glycerol · additive · chains L, M

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111990.820.8291BCL, BPH
2910.760.9729empty
31310.680.8922U10
42280.660.8448empty
51280.650.8728U10

Interfaces

3 interfaces between chains.

  • L–M · 4520 Ų buried · 73 hydrogen bonds · protein-protein
  • M–H · 2760 Ų buried · 39 hydrogen bonds · protein-protein
  • L–H · 1664 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 1RZH · Photosynthetic reaction center double mutant from rhodobacter sphaeroides with asp L213… · the same entry in another collection · chain L against L, TM-score 1.00

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