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F(M197)H mutant structure of photosynthetic reaction center from rhodobacter sphaeroides strain rv by fixed-target serial synchrotron crystallography (100K, 26KEV)

Analyse F(M197)H mutant structure of photosynthetic reaction center from rhodobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7P0Q
Type
protein
Length
824 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reaction center protein H chain; Reaction center protein L chain; Reaction center protein…
UniProt
P0C0Y7, P0C0Y8, P0C0Y9
Ligands
UNL, BCL, BPH, NKP, U10, SPN, FE
Pockets
15 · best druggability 0.82

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
HReaction center protein H chainprotein24124% helix, 25% strandP0C0Y7
LReaction center protein L chainprotein28162% helix, 3% strandP0C0Y8
MReaction center protein M chainprotein30264% helix, 4% strandP0C0Y9

Ligands and binding sites

  • UNL · Unknown ligand · ligand · 7 copies · chains H, L, M
  • BCL · Bacteriochlorophyll A · ligand · 4 copies · chains L, M
  • BPH · Bacteriopheophytin A · ligand · 2 copies · chains L, M
  • NKP · (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate · ligand · 2 copies · chains H, L, M
  • U10 · Ubiquinone-10 · ligand · chains L, M
  • SPN · Speroidenone · ligand · chains M
  • FE · Fe (III) ion · metal · chains L, M
  • LDA · Lauryl dimethylamine-N-oxide · additive · 4 copies · chains H, M
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · chains L, M
  • EDO · 1,2-ethanediol · additive · chains H, M

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18700.820.8474BCL
2890.750.9730empty
31590.750.9235empty
41190.650.8824OLC
52030.610.8238empty

Interfaces

3 interfaces between chains.

  • L–M · 4593 Ų buried · 69 hydrogen bonds · protein-protein
  • H–M · 2936 Ų buried · 46 hydrogen bonds · protein-protein
  • H–L · 1613 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 7P0Q · F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides… · the same entry in another collection · chain H against H, TM-score 1.00

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