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1coh

STRUCTURE OF HAEMOGLOBIN IN THE DEOXY QUATERNARY STATE WITH LIGAND BOUND AT THE ALPHA HAEMS

Method: X-RAY DIFFRACTION D_max: 70.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1coh
deposition_date	1989-01-13
title	STRUCTURE OF HAEMOGLOBIN IN THE DEOXY QUATERNARY STATE WITH LIGAND BOUND AT THE ALPHA HAEMS
keywords	OXYGEN TRANSPORT; OXYGEN TRANSPORT
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	24.83 Å
rg_electron	23.53 Å
i0	63707600.00
molecular_weight	64518.0 kDa
excluded_volume	81605 Å³
envelope_volume	97346 Å³
shell_volume	33082 Å³
envelope_diameter	72.0 Å
shell_rg	31.61 Å
envelope_rg	23.28 Å
shape_rg	23.51 Å
total_rg	24.47 Å
total_atoms	4560
n_residues	574
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	70.1 Å
rg_real	24.58 Å
rg_real_error	0.35 Å
i0_real	6.3710e+07
i0_real_error	7.8900e+05
rg_reciprocal	24.64 Å
i0_reciprocal	63710000.0000
total_estimate	0.9143
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.4 Å
skewness	0.007
kurtosis	-0.572
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	15210000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.974; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	HEMOGLOBIN (FERROUS CARBONMONOXY) (ALPHA CHAIN)
formula_weight	15150.4 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	4757

VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

Entity 2 polymer

description	HEMOGLOBIN (COBALTOUS DEOXY) (BETA CHAIN)
formula_weight	15890.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

Entity 3 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	CARBON MONOXIDE
formula_weight	28.0 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	PROTOPORPHYRIN IX CONTAINING CO
formula_weight	619.6 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	197

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6. Citations (2)

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length_a	63.090 Å
length_b	83.060 Å
length_c	53.670 Å
angle_alpha	90.00 °
angle_beta	99.63 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.900 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/co/1coh/1coh.fit
pddf	/app/data/pr_computation/co/1coh/1coh.pr.out
profile	/app/data/saxs_computation/co/1coh/1coh.dat

STRUCTURE OF HAEMOGLOBIN IN THE DEOXY QUATERNARY STATE WITH LIGAND BOUND AT THE ALPHA HAEMS

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

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)