SAXSdb — 1c4g

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1. Structure Basics

entry_id	1c4g
deposition_date	1999-08-24
title	PHOSPHOGLUCOMUTASE VANADATE BASED TRANSITION STATE ANALOG COMPLEX
keywords	PHOSPHOGLUCOMUTASE, PHOSPHOTRANSFERASE INHIBITOR SUBSTRATE COMPLEX, TRANSFERASE; TRANSFERASE
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	37.14 Å
rg_electron	37.01 Å
i0	228033000.00
molecular_weight	123270.0 kDa
excluded_volume	154870 Å³
envelope_volume	200540 Å³
shell_volume	45947 Å³
envelope_diameter	140.6 Å
shell_rg	41.55 Å
envelope_rg	37.57 Å
shape_rg	37.02 Å
total_rg	37.28 Å
total_atoms	8679
n_residues	1122
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	133.7 Å
rg_real	37.48 Å
rg_real_error	1.51 Å
i0_real	2.2800e+08
i0_real_error	3.4960e+06
rg_reciprocal	37.27 Å
i0_reciprocal	228000000.0000
total_estimate	0.8130
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.2 Å
skewness	0.586
kurtosis	-0.083
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	89740000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.663; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.694; Smooth: 0.882

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (ALPHA-D-GLUCOSE 1-PHOSPHATE PHOSPHOGLUCOMUTASE)
formula_weight	61499.9 kDa
ec_number	2.7.5.1
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8877

VKIVTVKTKAYPDQKPGTSGLRKRVKVFQSSTNYAENFIQSIISTVEPAQRQEATLVVGGDGRFYMKEAIQLIVRIAAANGIGRLVIGQNGILSTPAVSCIIRKIKAIGGIILTASHNPGGPNGDFGIKFNISNGGPAPEAITDKIFQISKTIEEYAICPDLKVDLGVLGKQQFDLENKFKPFTVEIVDSVEAYATMLRNIFDFNALKELLSGPNRLKIRIDAMHGVVGPYVKKILCEELGAPANSAVNCVPLEDFGGHHPDPNLTYAADLVETMKSGEHDFGAAFDGDGDRNMILGKHGFFVNPSDSVAVIAANIFSIPYFQQTGVRGFARSMPTSGALDRVANATKIALYETPTGWKFFGNLMDASKLSLCGEESFGTGSDHIREKDGLWAVLAWLSILATRKQSVEDILKDHWHKFGRNFFTRYDYEEVEAEGATKMMKDLEALMFDRSFVGKQFSANDKVYTVEKADNFEYHDPVDGSVSKNQGLRLIFADGSRIIFRLSGTGSAGATIRLYIDSYEKDNAKINQDPQVMLAPLISIALKVSQLQERTGRTAPTVIT

Entity 2 non-polymer

description	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE
formula_weight	359.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	198

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6. Citations (8)

Structural Relationships at the Active Site of Phos in Analog Complexes

To be Published

PRIMARY

Structure of Rabbit Muscle Phosphoglucomutase at 2.4 A Resolution

Acta Crystallogr.,Sect.D (1997)

DOI: 10.1107/S0907444997000875

ENHANCED DIFFRACTIVITY OF PHOSPHOGLUCOMUTASE CRYSTALS - USE OF AN ALTERNATE CRYOCRYSTALLOGRAPHIC PROCEDURE

Acta Crystallogr.,Sect.D (1997)

Structural Changes at the Metal Ion Binding Site During the Phosphoglucomutase Reaction

Biochemistry (1993)

The Crystal Structure of Phosphoglucomutase Refined at 2.7 A Resolution

J.Biol.Chem. (1992)

;Characterization of a Vanadate-Based Transition-St 2 Analog Complex by Kinetic and Equilibrium Binding 3 Studies: Mechanistic Implications ;

Biochemistry (1990)

The Catalytic Activity of Muscle Phosphoglucomutase in the Crystalline Phase

J.Biol.Chem. (1986)

The Structure of Rabbit Muscle Phosphoglucomutase at Intermediate Resolution

J.Biol.Chem. (1986)

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length_a	174.420 Å
length_b	174.420 Å
length_c	101.100 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.700 Å
resolution_low	6.000 Å
r_factor	0.1920
r_work	0.1920
r_free	0.2900

fit	/app/data/saxs_computation/c4/1c4g/1c4g.fit
pddf	/app/data/pr_computation/c4/1c4g/1c4g.pr.out
profile	/app/data/saxs_computation/c4/1c4g/1c4g.dat

PHOSPHOGLUCOMUTASE VANADATE BASED TRANSITION STATE ANALOG COMPLEX

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