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1dt6

STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5

Method: X-RAY DIFFRACTION D_max: 73.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dt6
deposition_date	2000-01-11
title	STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5
keywords	membrane protein, progesterone 21-hydroxylase, benzo(a)pyrene hydroxylase, estradiol 2-hydroxylase, P450, CYP2C5, OXIDOREDUCTASE; OXIDOREDUCTASE
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	23.63 Å
rg_electron	22.48 Å
i0	43409500.00
molecular_weight	52064.0 kDa
excluded_volume	65575 Å³
envelope_volume	77585 Å³
shell_volume	28028 Å³
envelope_diameter	76.0 Å
shell_rg	30.13 Å
envelope_rg	22.71 Å
shape_rg	22.48 Å
total_rg	23.40 Å
total_atoms	3648
n_residues	449
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	73.3 Å
rg_real	23.48 Å
rg_real_error	0.36 Å
i0_real	4.3410e+07
i0_real_error	4.6840e+05
rg_reciprocal	23.51 Å
i0_reciprocal	43410000.0000
total_estimate	0.9040
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	29.8 Å
skewness	0.134
kurtosis	-0.496
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	7864000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CYTOCHROME P450 2C5
formula_weight	53884.2 kDa
ec_number	1.14.14.1
mutation	D2A, H24S, G25S, N202H, R206E, I207L, S209G, S210T
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3648

MAKKTSSKGKLPPGPTPFPIIGNILQIDAKDISKSLTKFSECYGPVFTVYLGMKPTVVLHGYEAVKEALVDLGEEFAGRGSVPILEKVSKGLGIAFSNAKTWKEMRRFSLMTLRNFGMGKRSIEDRIQEEARCLVEELRKTNASPCDPTFILGCAPCNVICSVIFHNRFDYKDEEFLKLMESLHENVELLGTPWLQVYNNFPALLDYFPGIHKTLLKNADYIKNFIMEKVKEHQKLLDVNNPRDFIDCFLIKMEQENNLEFTLESLVIAVSDLFGAGTETTSTTLRYSLLLLLKHPEVAARVQEEIERVIGRHRSPCMQDRSRMPYTDAVIHEIQRFIDLLPTNLPHAVTRDVRFRNYFIPKGTDIITSLTSVLHDEKAFPNPKVFDPGHFLDESGNFKKSDYFMPFSAGKRMCVGEGLARMELFLFLTSILQNFKLQSLVEPKDLDITAVVNGFVSVPPSYQLCFIPIHHHH

Source

organism	Oryctolagus cuniculus
common_name	rabbit
ncbi_taxonomy_id	9986
host_organism	Escherichia coli

Entity 2 non-polymer

description	SAMARIUM (III) ION
formula_weight	150.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

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6. Citations (2)

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length_a	74.700 Å
length_b	132.000 Å
length_c	172.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	3.000 Å
resolution_low	25.000 Å
r_factor	0.2410
r_work	0.2380
r_free	0.3130

fit	/app/data/saxs_computation/dt/1dt6/1dt6.fit
pddf	/app/data/pr_computation/dt/1dt6/1dt6.pr.out
profile	/app/data/saxs_computation/dt/1dt6/1dt6.dat