MolNFT v1 · #182107 · protein

Crystal structure of R. sphaeroides photosynthetic reaction center variant; Y(M210)3-bromotyrosine

7MH4 · Reaction center protein H chain: “Crystal structure of R. sphaeroides photosynthetic reaction center variant; Y(M210)3-bromotyrosine”. X-ray diffraction, 7 ligands (BCL, BPH, U10), 14 pockets (best druggability 0.83). MolNFT v1…

PDB: 7MH4
Type: protein
Length: 819 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, U10, SPO, CDL, FE, CL
Pockets: 14 · best druggability 0.83

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	238	26% helix, 25% strand	P0C0Y7
L	Reaction center protein L chain	protein	281	62% helix, 4% strand	P0C0Y8
M	Reaction center protein M chain	protein	300	64% 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
U10 · Ubiquinone-10 · ligand · 2 copies · chains L, M
SPO · Spheroidene · ligand · chains M
CDL · Cardiolipin · ligand · chains H, L, M
FE · Fe (III) ion · metal · chains L, M
CL · Chloride ion · ion · chains L
LDA · Lauryl dimethylamine-N-oxide · additive · 5 copies · chains H, M, L

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

Pockets

14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	960	0.83	0.84	88	BCL, BPH
2	121	0.77	0.96	33	empty
3	205	0.73	0.89	37	U10
4	196	0.70	0.87	39	U10
5	87	0.57	0.86	17	SPO

Interfaces

3 interfaces between chains.

L–M · 4547 Å² buried · 64 hydrogen bonds · protein-protein
H–M · 2766 Å² buried · 44 hydrogen bonds · protein-protein
H–L · 1598 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

7MH4 · Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant… · 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 7MH4 · PDBe 7MH4 · UniProt P0C0Y7 · UniProt P0C0Y8 · UniProt P0C0Y9

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