SAXSdb — 1cft

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1. Protein Identity and Related Structures Protein Identity & Related Structures

No usable UniProt protein identity is available for this entry.

七张关系表仍保留该条目的 assembly 与组成信息，但缺少统一蛋白身份时，不能可靠建立跨 PDB 的同蛋白Chain接。

Assembly Composition of the Current Entry

Assembly	Oligomeric State	实体与Construct证据	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer 蛋白 3 / DNA 0 / RNA 0 / 其他Polymer 0 PDB declaration: trimeric	Entity 1：PROTEIN (IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN)) × 1 Entity 2：PROTEIN (IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN)) × 1 Entity 3：PROTEIN (ANTIGEN BOUND PEPTIDE) × 1 缺少 UniProt 身份时不显示参考序列区间	Entity 1Fragment：FAB Entity 2Fragment：FAB	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.5；1.8 M (NH4)2 SO4, 0.1 M 3-(N- MORPHOLINO)-PROPANESULFONIC AC, pH 7.5	Resolution 2.80 Å R-free 0.328

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1cft
Deposition date deposition_date	1999-03-19
Structure title title	ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH AN EPITOPE-UNRELATED D-PEPTIDE
Keywords keywords	POLYSPECIFICITY, CROSS REACTIVITY, FAB-FRAGMENT, HIV-1; POLYSPECIFICITY
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	25.93 Å
Radius of gyration Rg (electron density) rg_electron	24.84 Å
Forward intensity I(0) i0	37306700.00
Molecular weight molecular_weight	47083.0 kDa
Excluded volume excluded_volume	58841 Å³
Envelope volume envelope_volume	73553 Å³
Hydration-shell volume shell_volume	24893 Å³
Envelope diameter envelope_diameter	80.6 Å
Shell Rg shell_rg	31.94 Å
Envelope Rg envelope_rg	24.39 Å
Shape Rg shape_rg	24.82 Å
Total Rg total_rg	25.72 Å
Total atoms total_atoms	3310
Residues n_residues	432
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	78.6 Å
Rg (real space) rg_real	25.90 Å
Rg uncertainty (real space) rg_real_error	0.51 Å
I(0) (real space) i0_real	3.7310e+07
I(0) uncertainty (real space) i0_real_error	5.6970e+05
Rg (reciprocal space) rg_reciprocal	25.91 Å
I(0) (reciprocal space) i0_reciprocal	37310000.0000
Solution quality estimate total_estimate	0.9138
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	28.3 Å
Skewness Skewness skewness	0.247
Kurtosis Kurtosis kurtosis	-0.601
Angular range angular_range	— – 0.3050 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	6751000.0000
Real-space data points n_real_points	62
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.983; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.937

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	PROTEIN (IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN))
Molecular weight formula_weight	23928.7 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	3314

DIKMTQSPSSMYTSLGERVTITCKASQDINSFLTWFLQKPGKSPKTLIYRANRLMIGVPSRFSGSGSGQTYSLTISSLEYEDMGIYYCLQYDDFPLTFGAGTKLDLKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKEINVKWKIDGSERQNGVLDSWTEQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Entity 2 Entity 2 polymer

Description description	PROTEIN (IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN))
Molecular weight formula_weight	22669.5 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

QDQLQQSGAELVRPGASVKLSCKALGYIFTDYEIHWVKQTPVHGLEWIGGIHPGSSGTAYNQKFKGKATLTADKSSTTAFMELSSLTSEDSAVYYCTRKDYWGQGTLVTVSAAKTTAPSVYPLVPVCGGTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPALLQSGLYTLSSSVTVTSNTWPSQTITCNVAHPASSTKVDKKIEPRV

Entity 3 Entity 3 polymer

Description description	PROTEIN (ANTIGEN BOUND PEPTIDE)
Molecular weight formula_weight	527.7 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C

LKGPL

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	4

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7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d1cfta1
Class class	b — All beta proteins
Fold Fold fold	b.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamily	b.1.1 — Immunoglobulin
Family Family family	b.1.1.1 — V set domains (antibody variable domain-like)

Domain ID domain_id	d1cfta2
Class class	b — All beta proteins
Fold Fold fold	b.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamily	b.1.1 — Immunoglobulin
Family Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

Domain ID domain_id	d1cftb1
Class class	b — All beta proteins
Fold Fold fold	b.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamily	b.1.1 — Immunoglobulin
Family Family family	b.1.1.1 — V set domains (antibody variable domain-like)

Domain ID domain_id	d1cftb2
Class class	b — All beta proteins
Fold Fold fold	b.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamily	b.1.1 — Immunoglobulin
Family Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

CATH v4.4 (4 domains)

Domain ID domain_id	1cftA01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	1cftA02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	1cftB01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	1cftB02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

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8. Citations (1)

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Unit-cell length a length_a	106.060 Å
Unit-cell length b length_b	106.060 Å
Unit-cell length c length_c	294.130 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	12

Space group space_group	P 61 2 2
Space-group number int_tables_number	178
Crystal system crystal_system	—

Resolution resolution	2.800 Å
Low-resolution limit resolution_low	65.000 Å
R factor r_factor	—
R_work r_work	0.2370
R_free r_free	0.3280

fit	/app/data/saxs_computation/cf/1cft/1cft.fit
pddf	/app/data/pr_computation/cf/1cft/1cft.pr.out
profile	/app/data/saxs_computation/cf/1cft/1cft.dat

ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH AN EPITOPE-UNRELATED D-PEPTIDE

1. Protein Identity and Related Structures Protein Identity & Related Structures

Assembly Composition of the Current Entry

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 polymer

Polymer Polymer

Entity 4 Entity 4 water

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)