← Back to search

1bm6

SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN STROMELYSIN-1 COMPLEXED TO A POTENT NON-PEPTIDIC INHIBITOR, NMR, 20 STRUCTURES

Method: SOLUTION NMR D_max: 58.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1bm6
deposition_date	1998-07-29
title	SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN STROMELYSIN-1 COMPLEXED TO A POTENT NON-PEPTIDIC INHIBITOR, NMR, 20 STRUCTURES
keywords	HYDROLASE, METALLOPROTEASE, METZINCINS; METALLOPROTEASE
method	SOLUTION NMR

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	15.34 Å
rg_electron	15.14 Å
i0	2199660000.00
molecular_weight	399840.0 kDa
excluded_volume	498140 Å³
envelope_volume	41426 Å³
shell_volume	18969 Å³
envelope_diameter	63.7 Å
shell_rg	25.12 Å
envelope_rg	19.08 Å
shape_rg	15.15 Å
total_rg	15.24 Å
total_atoms	54560
n_residues	3460
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	58.4 Å
rg_real	15.32 Å
rg_real_error	0.60 Å
i0_real	2.2000e+09
i0_real_error	2.8710e+07
rg_reciprocal	15.32 Å
i0_reciprocal	2200000000.0000
total_estimate	0.7938
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	18.5 Å
skewness	0.427
kurtosis	0.271
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1087000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.484; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.868; Smooth: 0.996

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (6)

Entity 1 polymer

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

Polymer

type	polypeptide(L)
strand_id	A
atom_count	54560

FRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYGPPPDSPET

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	HYDROXYAMINOVALINE
formula_weight	132.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	3-METHYLPYRIDINE
formula_weight	93.1 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	1-METHYLOXY-4-SULFONE-BENZENE
formula_weight	172.2 kDa
src_method	syn
entity_count	1

▶

6. Citations (2)

▶

length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	—

fit	/app/data/saxs_computation/bm/1bm6/1bm6.fit
pddf	/app/data/pr_computation/bm/1bm6/1bm6.pr.out
profile	/app/data/saxs_computation/bm/1bm6/1bm6.dat