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1blh

;STRUCTURE OF A PHOSPHONATE-INHIBITED BETA-LACTAMASE. AN ANALOG OF THE TETRAHEDRAL TRANSITION STATE(SLASH)INTERMEDIATE OF BETA-LACTAM HYDROLYSIS ;

Method: X-RAY DIFFRACTION D_max: 67.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1blh
deposition_date	1993-09-30
title	;STRUCTURE OF A PHOSPHONATE-INHIBITED BETA-LACTAMASE. AN ANALOG OF THE TETRAHEDRAL TRANSITION STATE(SLASH)INTERMEDIATE OF BETA-LACTAM HYDROLYSIS ;
keywords	HYDROLASE(BETA-LACTAMASE); HYDROLASE(BETA-LACTAMASE)
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	18.51 Å
rg_electron	17.52 Å
i0	13561600.00
molecular_weight	28590.0 kDa
excluded_volume	36255 Å³
envelope_volume	39858 Å³
shell_volume	18758 Å³
envelope_diameter	60.9 Å
shell_rg	24.11 Å
envelope_rg	17.81 Å
shape_rg	17.51 Å
total_rg	18.55 Å
total_atoms	2014
n_residues	257
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	67.5 Å
rg_real	18.41 Å
rg_real_error	0.57 Å
i0_real	1.3560e+07
i0_real_error	1.8750e+05
rg_reciprocal	18.43 Å
i0_reciprocal	13560000.0000
total_estimate	0.7542
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.1 Å
skewness	0.215
kurtosis	-0.308
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	4052000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.606; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (7)

;Structure of a phosphonate-inhibited beta-lactamase. An analog of the tetrahedral transition state/intermediate of beta-lactam hydrolysis. ;

J.Mol.Biol. (1993)

PMID: 8230196 · DOI: 10.1006/jmbi.1993.1571 PRIMARY

Inhibition of Beta-Lactamase by Clavulanate. Trapped Intermediates in Cryocrystallographic Studies

J.Mol.Biol. (1992)

Refined Crystal Structure of Beta-Lactamase from Staphylococcus Aureus Pc1 at 2.0 Angstroms Resolution

J.Mol.Biol. (1991)

Structural Basis for the Inactivation of the P54 Mutant of Beta-Lactamase from Staphylococcus Aureus Pc1

Biochemistry (1991)

Penicillin-Binding and Degrading Enzymes

Curr.Opin.Struct.Biol. (1991)

;Bacterial Resistance to Beta-Lactam Antibiotics. Crystal Structure of Beta-Lactamase from Staphylococcus Aureus Pc1 at 2.5 Angstroms Resolution ;

Science (1987)

The Crystal Structure of Beta-Lactamase from Staphylococcus Aureus at 0.5Nm Resolution

Biochem.J. (1985)

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length_a	53.960 Å
length_b	94.200 Å
length_c	138.930 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.300 Å
resolution_low	8.000 Å
r_factor	0.1660
r_work	—
r_free	—

description	BETA-LACTAMASE
formula_weight	28843.2 kDa
ec_number	3.5.2.6
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2209

;STRUCTURE OF A PHOSPHONATE-INHIBITED BETA-LACTAMASE. AN ANALOG OF THE TETRAHEDRAL TRANSITION STATE(SLASH)INTERMEDIATE OF BETA-LACTAM HYDROLYSIS ;

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (7)

7. Files & Curves (10)

Files (7)

Curves (3)

description	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE
formula_weight	245.2 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	195

fit	/app/data/saxs_computation/bl/1blh/1blh.fit
pddf	/app/data/pr_computation/bl/1blh/1blh.pr.out
profile	/app/data/saxs_computation/bl/1blh/1blh.dat

organism	Staphylococcus aureus
ncbi_taxonomy_id	1280