MolNFT v1 · #51084 · protein

X-ray high resolution structure of the photosynthetic reaction center from rb. sphaeroides at pH 9 in the charge-separated state, 2ND dataset

2UX4 · Reaction center protein H chain: “X-ray high resolution structure of the photosynthetic reaction center from rb. sphaeroides at pH 9 in the…”. X-ray diffraction, 9 ligands (BCL, BPH, UQ2), 14 pockets (best druggability 0.82). MolNFT…

PDB: 2UX4
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: BCL, BPH, UQ2, HTO, U10, SPO, CDL, FE, PO4
Pockets: 14 · best druggability 0.82

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Reaction center protein H chain	protein	240	25% helix, 25% strand	P0C0Y7
L	Reaction center protein L chain	protein	281	64% helix, 3% strand	P0C0Y8
M	Reaction center protein M chain	protein	302	63% helix, 4% strand	P0C0Y9

Ligands and binding sites

BCL · Bacteriochlorophyll A · ligand · 4 copies · chains L, M
BPH · Bacteriopheophytin A · ligand · 2 copies · chains L, M
UQ2 · Ubiquinone-2 · ligand · chains L
HTO · Heptane-1,2,3-triol · ligand · chains L
U10 · Ubiquinone-10 · ligand · chains L, M
SPO · Spheroidene · ligand · chains M
CDL · Cardiolipin · ligand · chains H, L, M
FE · Fe (III) ion · metal · chains L, M
PO4 · Phosphate ion · ion · chains L
LDA · Lauryl dimethylamine-N-oxide · additive · 9 copies · chains L, M, H
GOL · Glycerol · additive · 7 copies · chains H, L, M

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1184	0.82	0.83	90	BCL, BPH
2	110	0.77	0.97	32	empty
3	58	0.69	0.96	16	empty
4	199	0.68	0.85	31	U10
5	140	0.61	0.84	29	UQ2

Interfaces

3 interfaces between chains.

L–M · 4546 Å² buried · 68 hydrogen bonds · protein-protein
H–M · 2834 Å² buried · 40 hydrogen bonds · protein-protein
H–L · 1604 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

2UX4 · X-ray high resolution structure of the photosynthetic reaction center from Rb.… · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0C0Y7
Every structure of UniProt P0C0Y8
Every structure of UniProt P0C0Y9
Elsewhere: RCSB PDB 2UX4 · PDBe 2UX4 · UniProt P0C0Y7 · UniProt P0C0Y8 · UniProt P0C0Y9

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