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9z3v

Histidine-covalent 165G1 targeting hMcl-1

Method: X-RAY DIFFRACTION D_max: 74.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9z3v
deposition_date	2025-11-07
title	Histidine-covalent 165G1 targeting hMcl-1
keywords	Histidine-covalent stapled alpha-helical peptides, APOPTOSIS; APOPTOSIS
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	24.09 Å
rg_electron	23.32 Å
i0	45416200.00
molecular_weight	34223.0 kDa
excluded_volume	32653 Å³
envelope_volume	55896 Å³
shell_volume	20491 Å³
envelope_diameter	76.1 Å
shell_rg	29.39 Å
envelope_rg	23.26 Å
shape_rg	23.27 Å
total_rg	23.94 Å
total_atoms	2597
n_residues	316
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	74.0 Å
rg_real	24.13 Å
rg_real_error	0.57 Å
i0_real	4.5420e+07
i0_real_error	5.3890e+05
rg_reciprocal	24.12 Å
i0_reciprocal	45420000.0000
total_estimate	0.8949
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.1 Å
skewness	0.310
kurtosis	-0.682
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	9144000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.915; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.955; Smooth: 0.941

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Induced myeloid leukemia cell differentiation protein Mcl-1
formula_weight	17793.3 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2860

SHMDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVED

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	165G1
formula_weight	1571.8 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

XIAEQLRRIGDRXX

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	263

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6. Citations (1)

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length_a	31.514 Å
length_b	78.046 Å
length_c	62.254 Å
angle_alpha	90.00 °
angle_beta	93.08 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	1.600 Å
resolution_low	48.620 Å
r_factor	0.2260
r_work	0.2245
r_free	0.2592

fit	/app/data/saxs_computation/z3/9z3v/9z3v.fit
pddf	/app/data/pr_computation/z3/9z3v/9z3v.pr.out
profile	/app/data/saxs_computation/z3/9z3v/9z3v.dat

Histidine-covalent 165G1 targeting hMcl-1

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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)