GL1X · GenesisL1 explorer

Research workbench

L(M196)H,H(M202)L double mutant structure of photosynthetic reaction center from rhodobacter sphaeroides strain rv

Analyse L(M196)H,H(M202)L double mutant structure of photosynthetic reaction center… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4LWY
Type
protein
Length
823 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, U10, CDL, SPN, K, FE, PO4
Pockets
11 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 51% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HReaction center protein H chainprotein24022% helix, 24% strandP0C0Y7
LReaction center protein L chainprotein28163% helix, 4% strandP0C0Y8
MReaction center protein M chainprotein30264% helix, 4% strandP0C0Y9

Ligands and binding sites

  • UNL · Unknown ligand · ligand · 11 copies · chains H, L, M
  • BCL · Bacteriochlorophyll A · ligand · 3 copies · chains L, M
  • BPH · Bacteriopheophytin A · ligand · 3 copies · chains L, M
  • U10 · Ubiquinone-10 · ligand · 2 copies · chains L, M
  • CDL · Cardiolipin · ligand · chains H, L, M
  • SPN · Speroidenone · ligand · chains M
  • K · Potassium ion · metal · chains H
  • FE · Fe (III) ion · metal · chains L, M
  • PO4 · Phosphate ion · ion · 3 copies · chains H, M
  • EDO · 1,2-ethanediol · additive · 7 copies · chains H, L, M
  • LDA · Lauryl dimethylamine-N-oxide · additive · 6 copies · chains H, M, L
  • DIO · 1,4-diethylene dioxide · additive · 4 copies · chains H, L, M
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains H, L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111600.820.8295BCL, BPH
21890.770.9140U10
31010.760.9731empty
41230.630.8728U10
51050.580.8520SPN

Interfaces

3 interfaces between chains.

  • L–M · 4597 Ų buried · 70 hydrogen bonds · protein-protein
  • H–M · 2861 Ų buried · 39 hydrogen bonds · protein-protein
  • H–L · 1634 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 4LWY · L(M196)H,H(M202)L Double Mutant Structure of Photosynthetic Reaction Center From… · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.