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9z2z

;Crystal structure of Glutamate-tRNA synthetase GluRS from Chlamydia pneumoniae in complex with O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE ;

Method: X-RAY DIFFRACTION D_max: 136.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9z2z
deposition_date	2025-11-05
last_revision	2025-11-26
title	;Crystal structure of Glutamate-tRNA synthetase GluRS from Chlamydia pneumoniae in complex with O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE ;
keywords	;SSGCID, STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, TRANSFERASE, Glutamate-tRNA synthetase, Chlamydia pneumoniae, LIGASE ;; LIGASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	39.25 Å
rg_electron	39.34 Å
i0	166521000.00
molecular_weight	108120.0 kDa
excluded_volume	136610 Å³
envelope_volume	181030 Å³
shell_volume	41009 Å³
envelope_diameter	146.8 Å
shell_rg	41.49 Å
envelope_rg	39.89 Å
shape_rg	39.38 Å
total_rg	39.37 Å
total_atoms	7643
n_residues	954
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	136.9 Å
rg_real	39.81 Å
rg_real_error	1.44 Å
i0_real	1.6650e+08
i0_real_error	2.9800e+06
rg_reciprocal	39.46 Å
i0_reciprocal	166500000.0000
total_estimate	0.7963
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	37.6 Å
skewness	0.578
kurtosis	-0.279
angular_range	— – 0.2000 Å⁻¹
current_alpha	0.0000
highest_alpha	18540000.0000
n_real_points	41
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.698; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.673; Smooth: 0.579

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Glutamate--tRNA ligase
formula_weight	60568.1 kDa
ec_number	6.1.1.17
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7646

MAHHHHHHMGTLEAQTQGPGSMNWENVRVRVAPSPTGDPHVGTAYMALFNEIFAKRFKGKMILRIEDTDRTRSRQDYEENIFSALRWCGIQWDEGPDVGGPYGPYRQSERTKIYQGYVETLLKTDCAYKCFATPQELAEMRAVASTLGYRGGYDRRYRYLSPEEVASREAAGQPYTIRLKVPLSGECVFEDYSKGRVVFPWADVDDQVLVKSDGFPTYHFANVIDDHLMGITHVLRGEEWLSSTPKHLLLYEAFGWEPPVFLHMPLLLNPDGTKLSKRKNPTSIFYYRDSGYVKEAFVNFLTLMGYSMEGDEEVYSLERIIETFNPRRIGKSGAVFDIQKLDWMNKHYLNHEGSPECLLKELQGWLLNDEFFLKILPLCQSRITTLAEFINLTSFFFSGLLEYRVEELLPQALSPEKAAILLYSYVKYLEKTDQWTKETCYLGSKWLAQAFNVHHKKAIIPLLYVAITGKKQGLPLFDSIEILGKPRARARLVYAEKLLGGVPKKLAATVDKFMQREDFEEATFDL

Source

organism	Chlamydia pneumoniae
ncbi_taxonomy_id	83558
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE
formula_weight	475.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	3

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6. Citations (1)

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length_a	56.009 Å
length_b	132.244 Å
length_c	92.721 Å
angle_alpha	90.00 °
angle_beta	107.42 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.800 Å
resolution_low	73.530 Å
r_factor	0.2336
r_work	0.2325
r_free	0.2535

fit	/app/data/saxs_computation/z2/9z2z/9z2z.fit
pddf	/app/data/pr_computation/z2/9z2z/9z2z.pr.out
profile	/app/data/saxs_computation/z2/9z2z/9z2z.dat

;Crystal structure of Glutamate-tRNA synthetase GluRS from Chlamydia pneumoniae in complex with O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE ;

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction