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MolNFT v1 · #29469 · protein

Photosynthetic reaction center from rhodobacter sphaeroides

1Z9K · Reaction center protein L chain: “Photosynthetic reaction center from rhodobacter sphaeroides”. X-ray diffraction, 5 ligands (BCL, BPH, U10), 10 pockets (best druggability 0.81). MolNFT v1 #29469 on GenesisL1: 3D structure, binding…

PDB
1Z9K
Type
protein
Length
821 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, FE, MN
Pockets
10 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReaction center protein L chainprotein28149% helix, 4% strandP02954
BReaction center protein M chainprotein30251% helix, 2% strandP02953
CReaction center protein H chainprotein23821% helix, 18% strandP11846

Ligands and binding sites

  • BCL · Bacteriochlorophyll A · ligand · 4 copies · chains A, B
  • BPH · Bacteriopheophytin A · ligand · 2 copies · chains A, B
  • U10 · Ubiquinone-10 · ligand · 2 copies · chains A, B
  • FE · Fe (III) ion · metal · chains A, B
  • MN · Manganese (II) ion · metal · chains C

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111830.810.81109BCL
22850.700.8438U10
31470.590.8319empty
41560.550.8131empty
51480.450.7620empty

Interfaces

3 interfaces between chains.

  • A–B · 4603 Ų buried · 52 hydrogen bonds · protein-protein
  • B–C · 2948 Ų buried · 27 hydrogen bonds · protein-protein
  • A–C · 1696 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 1Z9K · Photosynthetic Reaction Center from Rhodobacter sphaeroides · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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