1fnp

CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> PHE FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES

Method: X-RAY DIFFRACTION Dmax: 92.5 Å Quality: EXCELLENT

1. Protein Identity and Related Structures Protein Identity & Related Structures

REACTION CENTER PROTEIN L CHAIN

Rhodobacter sphaeroides

UniProt P02954

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain L; UniProt 1–281 Mutation:P209F REACTION CENTER PROTEIN M CHAIN × 1 (P02953) REACTION CENTER PROTEIN H CHAIN × 1 (P11846) BCL BACTERIOCHLOROPHYLL A × 4 BPH BACTERIOPHEOPHYTIN A × 2 U10 UBIQUINONE-10 × 2 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 7 FE FE (III) ION × 1 PO4 PHOSPHATE ION × 1 SPO SPHEROIDENE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;295 K;POTASSIUM PHOSPHATE, 1,2,3-HEPTANETRIOL, 1,2,3-HEXANETRIOL, LDAO, NACL, DIOXANE , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K Resolution 2.60 Å R-free 0.248

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

39 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RCEL_RHOSH
Isoform
PDB entities 1
Chains and sequence ranges Author chain L; PDBConstruct 1–281; UniProt 1–281

REACTION CENTER PROTEIN M CHAIN

Rhodobacter sphaeroides

UniProt P02953

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain M; UniProt 1–307 Not recorded REACTION CENTER PROTEIN L CHAIN × 1 (P02954) REACTION CENTER PROTEIN H CHAIN × 1 (P11846) BCL BACTERIOCHLOROPHYLL A × 4 BPH BACTERIOPHEOPHYTIN A × 2 U10 UBIQUINONE-10 × 2 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 7 FE FE (III) ION × 1 PO4 PHOSPHATE ION × 1 SPO SPHEROIDENE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;295 K;POTASSIUM PHOSPHATE, 1,2,3-HEPTANETRIOL, 1,2,3-HEXANETRIOL, LDAO, NACL, DIOXANE , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K Resolution 2.60 Å R-free 0.248

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

39 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RCEM_RHOSH
Isoform
PDB entities 2
Chains and sequence ranges Author chain M; PDBConstruct 1–307; UniProt 1–307

REACTION CENTER PROTEIN H CHAIN

Rhodobacter sphaeroides

UniProt P11846

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain H; UniProt 1–260 Not recorded REACTION CENTER PROTEIN L CHAIN × 1 (P02954) REACTION CENTER PROTEIN M CHAIN × 1 (P02953) BCL BACTERIOCHLOROPHYLL A × 4 BPH BACTERIOPHEOPHYTIN A × 2 U10 UBIQUINONE-10 × 2 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 7 FE FE (III) ION × 1 PO4 PHOSPHATE ION × 1 SPO SPHEROIDENE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;295 K;POTASSIUM PHOSPHATE, 1,2,3-HEPTANETRIOL, 1,2,3-HEXANETRIOL, LDAO, NACL, DIOXANE , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K Resolution 2.60 Å R-free 0.248

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

39 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RCEH_RHOSH
Isoform
PDB entities 3
Chains and sequence ranges Author chain H; PDBConstruct 1–260; UniProt 1–260

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 1fnp

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1fnp
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1fnp
Deposition date deposition_date2000-08-23
Structure title titleCRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> PHE FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES
Keywords keywordsamino acid displacement, PHOTOSYNTHESIS; PHOTOSYNTHESIS
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier29.83
Radius of gyration Rg (electron density) rg_electron28.39
Forward intensity I(0) i0120327000.00
Molecular weight molecular_weight100120.0 kDa
Excluded volume excluded_volume130580 ų
Envelope volume envelope_volume148960 ų
Hydration-shell volume shell_volume42061 ų
Envelope diameter envelope_diameter95.5
Shell Rg shell_rg37.07
Envelope Rg envelope_rg28.52
Shape Rg shape_rg28.39
Total Rg total_rg29.29
Total atoms total_atoms7114
Residues n_residues822
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax92.5
Rg (real space) rg_real29.70
Rg uncertainty (real space) rg_real_error0.50
I(0) (real space) i0_real1.2030e+08
I(0) uncertainty (real space) i0_real_error1.8860e+06
Rg (reciprocal space) rg_reciprocal29.76
I(0) (reciprocal space) i0_reciprocal120300000.0000
Solution quality estimate total_estimate0.9090
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary36.6
Skewness Skewness skewness0.155
Kurtosis Kurtosis kurtosis-0.572
Angular range angular_range— – 0.2650 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha14210000.0000
Real-space data points n_real_points54
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.956; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.948

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (11)

7. Fold Classification (SCOP + CATH) 10 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd1fnph1
Class classb — All beta proteins
Fold Fold foldb.41 — PRC-barrel domain
Superfamily Superfamily superfamilyb.41.1 — PRC-barrel domain
Family Family familyb.41.1.1 — Photosynthetic reaction centre, H-chain, cytoplasmic domain
Domain ID domain_idd1fnph2
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.23 — Single transmembrane helix
Superfamily Superfamily superfamilyf.23.10 — Photosystem II reaction centre subunit H, transmembrane region
Family Family familyf.23.10.1 — Photosystem II reaction centre subunit H, transmembrane region
Domain ID domain_idd1fnpl_
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.26 — Bacterial photosystem II reaction centre, L and M subunits
Superfamily Superfamily superfamilyf.26.1 — Bacterial photosystem II reaction centre, L and M subunits
Family Family familyf.26.1.1 — Bacterial photosystem II reaction centre, L and M subunits
Domain ID domain_idd1fnpm_
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.26 — Bacterial photosystem II reaction centre, L and M subunits
Superfamily Superfamily superfamilyf.26.1 — Bacterial photosystem II reaction centre, L and M subunits
Family Family familyf.26.1.1 — Bacterial photosystem II reaction centre, L and M subunits

CATH v4.4 (6 domains)

Domain ID domain_id1fnpH01
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology540 — Photosynthetic Reaction Center; Chain H, domain 1
Homologous superfamily homologous superfamily10 — Photosynthetic reaction centre, H subunit, N-terminal domain
Domain ID domain_id1fnpH02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology50 — Photosynthetic Reaction Center; Chain H, domain 2
Homologous superfamily homologous superfamily10 — Photosynthetic Reaction Center, subunit H, domain 2
Domain ID domain_id1fnpL01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology85 — Photosynthetic Reaction Center, subunit M; domain 1
Homologous superfamily homologous superfamily10 — Photosystem II protein D1-like
Domain ID domain_id1fnpL02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology85 — Photosynthetic Reaction Center, subunit M; domain 1
Homologous superfamily homologous superfamily10 — Photosystem II protein D1-like
Domain ID domain_id1fnpM01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology85 — Photosynthetic Reaction Center, subunit M; domain 1
Homologous superfamily homologous superfamily10 — Photosystem II protein D1-like
Domain ID domain_id1fnpM02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology85 — Photosynthetic Reaction Center, subunit M; domain 1
Homologous superfamily homologous superfamily10 — Photosystem II protein D1-like

8. Citations (3)

9. Files and Curves (10)