2aly

Crystal Structure of T.Thermophilus Phenylalanyl-tRNA synthetase complexed with 5'-O-[N-(L-tyrosyl)sulphamoyl]adenosine

Method: X-RAY DIFFRACTION Dmax: 140.7 Å Quality: GOOD

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

Phenylalanyl-tRNA synthetase alpha chain

OrganismNot specified

UniProt P27001

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 × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 85–350 Not recorded Phenylalanyl-tRNA synthetase beta chain × 2 (P27002) MN MANGANESE (II) ION × 2 YSA 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.2;277 K;20mM Imidazole-HCl (pH 7.2), 27% (NH4)2SO4, 1mM MgCl2, 1mM NaN3, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.60 Å R-free 0.246

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.

9 other PDB entries and 9 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SYFA_THETH
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–266; UniProt 85–350

Phenylalanyl-tRNA synthetase beta chain

OrganismNot specified

UniProt P27002

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 × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain B; UniProt 1–785 Not recorded Phenylalanyl-tRNA synthetase alpha chain × 2 (P27001) MN MANGANESE (II) ION × 2 YSA 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.2;277 K;20mM Imidazole-HCl (pH 7.2), 27% (NH4)2SO4, 1mM MgCl2, 1mM NaN3, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.60 Å R-free 0.246

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.

8 other PDB entries and 8 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SYFB_THETH
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–785; UniProt 1–785

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 2aly

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2aly
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2aly
Deposition date deposition_date2005-08-04
Structure title titleCrystal Structure of T.Thermophilus Phenylalanyl-tRNA synthetase complexed with 5'-O-[N-(L-tyrosyl)sulphamoyl]adenosine
Keywords keywordsprotein-ligand complex, LIGASE; LIGASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier38.25
Radius of gyration Rg (electron density) rg_electron38.42
Forward intensity I(0) i0198986000.00
Molecular weight molecular_weight117160.0 kDa
Excluded volume excluded_volume147970 ų
Envelope volume envelope_volume198220 ų
Hydration-shell volume shell_volume45202 ų
Envelope diameter envelope_diameter140.6
Shell Rg shell_rg41.46
Envelope Rg envelope_rg39.16
Shape Rg shape_rg38.41
Total Rg total_rg38.65
Total atoms total_atoms8291
Residues n_residues1051
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 dmax140.7
Rg (real space) rg_real38.69
Rg uncertainty (real space) rg_real_error1.79
I(0) (real space) i0_real1.9900e+08
I(0) uncertainty (real space) i0_real_error3.6330e+06
Rg (reciprocal space) rg_reciprocal38.42
I(0) (reciprocal space) i0_reciprocal198900000.0000
Solution quality estimate total_estimate0.8101
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary37.8
Skewness Skewness skewness0.627
Kurtosis Kurtosis kurtosis0.005
Angular range angular_range— – 0.2050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha41130000.0000
Real-space data points n_real_points42
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.645; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.772; Smooth: 0.820

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 14 domains

SCOP 2.08 (7 domains)

Domain ID domain_idd2alya_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.104 — Class II aaRS and biotin synthetases
Superfamily Superfamily superfamilyd.104.1 — Class II aaRS and biotin synthetases
Family Family familyd.104.1.1 — Class II aminoacyl-tRNA synthetase (aaRS)-like, catalytic domain
Domain ID domain_idd2alyb1
Class classa — All alpha proteins
Fold Fold folda.6 — Putative DNA-binding domain
Superfamily Superfamily superfamilya.6.1 — Putative DNA-binding domain
Family Family familya.6.1.1 — Domains B1 and B5 of PheRS-beta, PheT
Domain ID domain_idd2alyb2
Class classa — All alpha proteins
Fold Fold folda.6 — Putative DNA-binding domain
Superfamily Superfamily superfamilya.6.1 — Putative DNA-binding domain
Family Family familya.6.1.1 — Domains B1 and B5 of PheRS-beta, PheT
Domain ID domain_idd2alyb3
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.4 — Nucleic acid-binding proteins
Family Family familyb.40.4.4 — Myf domain
Domain ID domain_idd2alyb4
Class classb — All beta proteins
Fold Fold foldb.153 — PheT/TilS domain
Superfamily Superfamily superfamilyb.153.1 — PheT/TilS domain
Family Family familyb.153.1.1 — B3/B4 domain of PheRS, PheT
Domain ID domain_idd2alyb5
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.58 — Ferredoxin-like
Superfamily Superfamily superfamilyd.58.13 — Anticodon-binding domain of PheRS
Family Family familyd.58.13.1 — Anticodon-binding domain of PheRS
Domain ID domain_idd2alyb6
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.104 — Class II aaRS and biotin synthetases
Superfamily Superfamily superfamilyd.104.1 — Class II aaRS and biotin synthetases
Family Family familyd.104.1.1 — Class II aminoacyl-tRNA synthetase (aaRS)-like, catalytic domain

CATH v4.4 (7 domains)

Domain ID domain_id2alyA00
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology930 — BirA Bifunctional Protein; domain 2
Homologous superfamily homologous superfamily10 — Bira Bifunctional Protein; Domain 2
Domain ID domain_id2alyB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology56 — Phenylalanyl-tRNA Synthetase; Chain B, domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id2alyB02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily140 — Nucleic acid-binding proteins
Domain ID domain_id2alyB03
Class class3 — Alpha Beta
Architecture architecture50 — 3-Layer(bba) Sandwich
Topology topology40 — Phenylalanyl-tRNA Synthetase; Chain B, domain 3
Homologous superfamily homologous superfamily10 — Phenylalanyl-trna Synthetase, Chain B, domain 3
Domain ID domain_id2alyB04
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology56 — Phenylalanyl-tRNA Synthetase; Chain B, domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id2alyB05
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology930 — BirA Bifunctional Protein; domain 2
Homologous superfamily homologous superfamily10 — Bira Bifunctional Protein; Domain 2
Domain ID domain_id2alyB06
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily380 — Ferrodoxin-fold anticodon-binding domain

8. Citations (1)

9. Files and Curves (10)