← Back to search

1d7x

CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR.

Method: X-RAY DIFFRACTION D_max: 77.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1d7x
deposition_date	1999-10-20
title	CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR.
keywords	MIXED ALPHA BETA STRUCTURE, ZINC PROTEASE, INHIBITED, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	23.87 Å
rg_electron	23.15 Å
i0	26901300.00
molecular_weight	39529.0 kDa
excluded_volume	49182 Å³
envelope_volume	58307 Å³
shell_volume	21750 Å³
envelope_diameter	78.8 Å
shell_rg	29.22 Å
envelope_rg	23.20 Å
shape_rg	23.13 Å
total_rg	23.96 Å
total_atoms	2778
n_residues	342
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

▼

3. P(r) Analysis (GNOM)

dmax	77.7 Å
rg_real	23.96 Å
rg_real_error	0.54 Å
i0_real	2.6900e+07
i0_real_error	3.7180e+05
rg_reciprocal	23.94 Å
i0_reciprocal	26900000.0000
total_estimate	0.7923
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.1 Å
skewness	0.404
kurtosis	-0.511
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	6990000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.799; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.906; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	STROMELYSIN-1 PRECURSOR
formula_weight	19416.5 kDa
ec_number	3.4.24.17
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2947

FRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYGPPPDSPET

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	6

Entity 4 non-polymer

description	N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE
formula_weight	345.4 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	169

▶

6. Citations (1)

▶

length_a	37.850 Å
length_b	78.220 Å
length_c	104.740 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.000 Å
resolution_low	10.000 Å
r_factor	0.2620
r_work	0.2620
r_free	0.2270

fit	/app/data/saxs_computation/d7/1d7x/1d7x.fit
pddf	/app/data/pr_computation/d7/1d7x/1d7x.pr.out
profile	/app/data/saxs_computation/d7/1d7x/1d7x.dat