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1dtd

CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE LEECH CARBOXYPEPTIDASE INHIBITOR AND THE HUMAN CARBOXYPEPTIDASE A2 (LCI-CPA2)

Method: X-RAY DIFFRACTION D_max: 71.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dtd
deposition_date	2000-01-12
title	CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE LEECH CARBOXYPEPTIDASE INHIBITOR AND THE HUMAN CARBOXYPEPTIDASE A2 (LCI-CPA2)
keywords	Carboxypeptidase A2, Leech Carboxypeptidase Inhibitor, 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	21.13 Å
rg_electron	20.03 Å
i0	28116500.00
molecular_weight	40551.0 kDa
excluded_volume	50513 Å³
envelope_volume	56432 Å³
shell_volume	23283 Å³
envelope_diameter	72.2 Å
shell_rg	27.23 Å
envelope_rg	20.34 Å
shape_rg	20.01 Å
total_rg	20.96 Å
total_atoms	2854
n_residues	364
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	71.8 Å
rg_real	21.05 Å
rg_real_error	0.46 Å
i0_real	2.8120e+07
i0_real_error	3.6910e+05
rg_reciprocal	21.07 Å
i0_reciprocal	28120000.0000
total_estimate	0.8593
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.5 Å
skewness	0.310
kurtosis	-0.106
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	12430000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.738; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.958

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	CARBOXYPEPTIDASE A2
formula_weight	33660.9 kDa
ec_number	3.4.15.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3085

FNFGAYHTLEEISQEMDNLVAEHPGLVSKVNIGSSFENRPMNVLKFSTGGDKPAIWLDAGIHAREWVTQATALWTANKIVSDYGKDPSITSILDALDIFLLPVTNPDGYVFSQTKNRMWRKTRSKVSAGSLCVGVDPNRNWDAGFGGPGASSNPCSDSYHGPSANSEVEVKSIVDFIKSHGKVKAFIILHSYSQLLMFPYGYKCTKLDDFDELSEVAQKAAQSLSRLHGTKYKVGPICSVIYQASGGSIDWSYDYGIKYSFAFELRDTGRYGFLLPARQILPTAEETWLGLKAIMEHVRDHPY

Entity 2 polymer

description	METALLOCARBOXYPEPTIDASE INHIBITOR
formula_weight	6787.6 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

DESFLCYQPDQVCCFICRGAAPLPSEGECNPHPTAPWCREGAVEWVPYSTGQCRTTCIPYV

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	GLUTAMIC ACID
formula_weight	147.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	231

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6. Citations (1)

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length_a	80.439 Å
length_b	80.439 Å
length_c	114.464 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	1.650 Å
resolution_low	12.000 Å
r_factor	0.1870
r_work	0.1870
r_free	0.2340

fit	/app/data/saxs_computation/dt/1dtd/1dtd.fit
pddf	/app/data/pr_computation/dt/1dtd/1dtd.pr.out
profile	/app/data/saxs_computation/dt/1dtd/1dtd.dat

CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE LEECH CARBOXYPEPTIDASE INHIBITOR AND THE HUMAN CARBOXYPEPTIDASE A2 (LCI-CPA2)

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 (5)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)