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1eak

Catalytic domain of proMMP-2 E404Q mutant

Method: X-RAY DIFFRACTION D_max: 175.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eak
deposition_date	2001-07-12
title	Catalytic domain of proMMP-2 E404Q mutant
keywords	HYDROLASE-HYDROLASE INHIBITOR COMPLEX, HYDROLYSE, MATRIX METALLOPROTEINASE, GELATINASE A, HYDROLASE- HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
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	51.03 Å
rg_electron	52.04 Å
i0	576486000.00
molecular_weight	190760.0 kDa
excluded_volume	234780 Å³
envelope_volume	342760 Å³
shell_volume	61453 Å³
envelope_diameter	182.0 Å
shell_rg	46.87 Å
envelope_rg	51.48 Å
shape_rg	52.03 Å
total_rg	51.89 Å
total_atoms	13395
n_residues	1693
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	175.7 Å
rg_real	51.61 Å
rg_real_error	1.80 Å
i0_real	5.7650e+08
i0_real_error	1.0950e+07
rg_reciprocal	50.55 Å
i0_reciprocal	575700000.0000
total_estimate	0.7352
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	39.7 Å
skewness	0.645
kurtosis	-0.267
angular_range	— – 0.1550 Å⁻¹
current_alpha	0.0001
highest_alpha	40760000.0000
n_real_points	32
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.625; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.572; Smooth: 0.106

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	72 KDA TYPE IV COLLAGENASE
formula_weight	47304.3 kDa
ec_number	3.4.24.24
mutation	YES
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	13504

SPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHQFGHAMGLEHSQDPGALMAPIYTYTKNFRLSQDDIKGIQELYGASPDID

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	TRICHOPLUSIA NI

Entity 2 polymer

description	INHIBITOR PEPTIDE
formula_weight	622.7 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	P,R

GPAGPPGA

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	6

Entity 4 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	8

Entity 5 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	8

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	109

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6. Citations (1)

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length_a	117.670 Å
length_b	166.150 Å
length_c	170.130 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.660 Å
resolution_low	35.580 Å
r_factor	0.2710
r_work	0.2710
r_free	0.3030

fit	/app/data/saxs_computation/ea/1eak/1eak.fit
pddf	/app/data/pr_computation/ea/1eak/1eak.pr.out
profile	/app/data/saxs_computation/ea/1eak/1eak.dat

Catalytic domain of proMMP-2 E404Q mutant

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

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)