SAXSdb — 8da1

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

Alpha-bungarotoxin

Bungarus multicinctus

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count	Chain I； UniProt 22–95	Not recorded	Centi-LNX-D09 Fab light chain × 1 Centi-LNX-D09 Fab heavy chain × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；293 K；40% PEG 400, 5% PEG 3350, 0.1M sodium acetate pH 5.5	Resolution 2.67 Å R-free 0.253

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 8DA1	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1ABT NMR SOLUTION STRUCTURE OF AN ALPHA-BUNGAROTOXIN(SLASH)NICOTINIC RECEPTOR PEPTIDE COMPLEX Deposited 1993-11-17	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
1BXP SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA-BUNGAROTOXIN WITH A LIBRARY DERIVED PEPTIDE, 20 STRUCTURES Deposited 1998-08-23	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.8；303 K	Resolution not provided
1HC9 alpha-bungarotoxin complexed with high affinity peptide Deposited 2001-05-02	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 22–95（74 aa）	Not recorded	IOD IODIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；40% PEG 3350, 0.1M PIPES BUFFER PH 7.5	Resolution 1.80 Å R-free 0.235
1HOY NMR STRUCTURE OF THE COMPLEX BETWEEN A-BUNGAROTOXIN AND A MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR Deposited 2000-12-12	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.67；303 K；Pressure ambient NMR sample composition 0.5mM a-bungarotoxin;0.5mM peptide; 90% H2O, 10% D2O \| 90% H2O/10% D2O	Resolution not provided
1IDG THE NMR SOLUTION STRUCTURE OF THE COMPLEX FORMED BETWEEN ALPHA-BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE Deposited 2001-04-04	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4；308 K；Pressure ambient NMR sample composition 2.1 mM alpha-Bungarotoxin/alpha18mer complex, alpha18mer is 15N labeled, 50 mM perdeuterated potassium acetate buffer (pH 4.0) with 5% D2O and 0.05% sodium azide \| 95% H2O/5% D2O	Resolution not provided
1IDH THE NMR SOLUTION STRUCTURE OF THE COMPLEX FORMED BETWEEN ALPHA-BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE Deposited 2001-04-04	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4；308 K；Pressure ambient NMR sample composition 2.1 mM alpha-Bungarotoxin/alpha18mer complex, alpha18mer is 15N labeled, 50 mM perdeuterated potassium acetate buffer (pH 4.0) with 5% D2O and 0.05% sodium azide \| 95% H2O/5% D2O	Resolution not provided
1IDI THE NMR SOLUTION STRUCTURE OF ALPHA-BUNGAROTOXIN Deposited 2001-04-04	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4；308 K；Pressure ambient NMR sample composition 2.0 mM free alpha-Bungarotoxin, 50 mM perdeuterated potassium acetate buffer (pH 4.0) with 5% D2O and 0.05% SODIUM azide \| 95% H2O/5% D2O	Resolution not provided
1IDL THE NMR SOLUTION STRUCTURE OF ALPHA-BUNGAROTOXIN Deposited 2001-04-04	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4；308 K；Ionic strength (raw mmCIF value) 29 mM；Pressure ambient NMR sample composition 2.0 mM free alpha-Bungarotoxin, 50 mM perdeuterated potassium acetate buffer (pH 4.0) with 5% D2O and 0.05% sodium azide \| 95% H2O/5% D2O	Resolution not provided
1IK8 NMR structure of Alpha-Bungarotoxin Deposited 2001-05-03	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.67；303 K NMR sample composition 0.5mM alpha-bungarotoxin; 90% H2O, 10% D2O \| 90% H2O/10% D2O	Resolution not provided
1IKC NMR Structure of alpha-Bungarotoxin Deposited 2001-05-03	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.67；303 K NMR sample composition 0.5mM alpha-bungarotoxin; 90% H2O, 10% D2O \| 90% H2O/10% D2O	Resolution not provided
1JBD NMR Structure of the Complex Between alpha-bungarotoxin and a Mimotope of the Nicotinic Acetylcholine Receptor Deposited 2001-06-04	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.67；300 K；Pressure ambient NMR sample composition 0.5MM ALPHA-BUNGAROTOXIN; 90% H2O, 10% D2O \| 90% H2O/10% D2O	Resolution not provided
1KC4 NMR Structural Analysis of the Complex Formed Between alpha-Bungarotoxin and the Principal alpha-Neurotoxin Binding Sequence on the alpha7 Subunit of a Neuronal Nicotinic Acetylcholine Receptor Deposited 2001-11-07	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.5；308 K；Pressure ambient NMR sample composition 1.6 mM alpha-bungarotoxin/[U-15N]-alpha 7 19mer complex 30 mM sodium phosphate, pH 5.5 50 micromolar sodium azide 50 micromolar TMSP \| 95% H2O/5% D2O NMR sample composition 1.6 mM alpha-bungarotoxin/[U-15N]-alpha 7 19mer complex 30 mM sodium phosphate, pH 5.5 50 micromolar sodium azide 50 micromolar TMSP \| 99.9% D2O	Resolution not provided
1KFH Solution Structure of alpha-Bungarotoxin by NMR Spectroscopy Deposited 2001-11-20	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.79；298 K；Ionic strength (raw mmCIF value) no buffers, pH adjusted w/HCl and NaOH；Pressure ambient NMR measurement conditions pH 5.79；308 K；Ionic strength (raw mmCIF value) no buffers, pH adjusted w/DCl and NaOD；Pressure ambient NMR sample composition 4mM alpha-Bungarotoxin pH 5.79 at 288, 298, and 308 degrees K \| 95% H2O/5% D2O NMR sample composition 4mM alpha-Bungarotoxin pH 5.79 \| 99.9% D2O	Resolution not provided
1KL8 NMR STRUCTURAL ANALYSIS OF THE COMPLEX FORMED BETWEEN ALPHA-BUNGAROTOXIN AND THE PRINCIPAL ALPHA-NEUROTOXIN BINDING SEQUENCE ON THE ALPHA7 SUBUNIT OF A NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR Deposited 2001-12-11	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.5；308 K；Pressure AMBIENT NMR sample composition 1.6 MM ALPHA-BUNGAROTOXIN 15N]-ALPHA 7 19MER COMPLEX MM SODIUM PHOSPHATE, PH 5. MICROMOLAR SODIUM AZIDE 50 MICROMOLAR TMSP \| 95% H2O/5% D2O	Resolution not provided
1L4W NMR structure of an AChR-peptide (Torpedo Californica, alpha-subunit residues 182-202) in complex with alpha-Bungarotoxin Deposited 2002-03-06	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4；303 K；Ionic strength (raw mmCIF value) 50 mM Ac；Pressure ambient NMR sample composition 1.8 mM alpha-Bungarotoxin/AChR-peptide, buffer,pH 4 \| 90% H2O/10% D2O NMR sample composition 1.8 mM alpha-Bungarotoxin/AChR-peptide, buffer,pH 4 \| 100% D2O	Resolution not provided
1LJZ NMR structure of an AChR-peptide (Torpedo Californica, alpha-subunit residues 182-202) in complex with alpha-Bungarotoxin Deposited 2002-04-23	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4；298 K；Ionic strength (raw mmCIF value) 50 mM NH4Ac；Pressure ambient NMR measurement conditions pH 4；298 K；Ionic strength (raw mmCIF value) 50 mM NH4Ac；Pressure ambient NMR sample composition acetylcholine receptor peptide/alpha-bungarotoxin \| 90% H2O/10% D2O NMR sample composition acetylcholine receptor peptide/alpha-bungarotoxin \| 100% D2O	Resolution not provided
1RGJ NMR STRUCTURE OF THE COMPLEX BETWEEN ALPHA-BUNGAROTOXIN AND MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR WITH ENHANCED ACTIVITY Deposited 2003-11-12	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.6；303 K；Pressure AMBIENT NMR sample composition 2MM ALPHA-BUNGAROTOXIN, 2MM PEPTIDE \| 90% H2O/10% D2O	Resolution not provided
2ABX THE CRYSTAL STRUCTURE OF ALPHA-BUNGAROTOXIN AT 2.5 ANGSTROMS RESOLUTION. RELATION TO SOLUTION STRUCTURE AND BINDING TO ACETYLCHOLINE RECEPTOR Deposited 1986-02-19	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa） Chain B 1–74（74 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
2BTX SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA-BUNGAROTOXIN WITH A LIBRARY DERIVED PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE Deposited 1998-08-23	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–74（74 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.8；303 K	Resolution not provided
6UWZ Cryo-EM structure of Torpedo acetylcholine receptor in complex with alpha-bungarotoxin Deposited 2019-11-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 7 PDB declaration: heptameric	Chain F 22–95（74 aa） Chain G 22–95（74 aa）	Not recorded	POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 OCT N-OCTANE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.69 Å
9FYS D11 mAbs bound to alpha-Bungarotoxin Deposited 2024-07-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain X 1–95（95 aa） Chain Z 1–95（95 aa）	Not recorded	MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES: NaOH, 12 % PEG 20000, pH 6.5	Resolution 1.32 Å R-free 0.192
9GU0 Human adult muscle nAChR in resting state in detergent with alpha-bungarotoxin Deposited 2024-09-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 11 PDB declaration: 11-meric	Chain I 22–95（74 aa） Chain J 22–95（74 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5；20 mM HEPES pH 7.5, 150 mM NaCl, 0.013% DDM, 0.0013% CHS cryo-EM vitrification conditions Cryogen ETHANE；blot time 2s, blot force -10	Resolution 2.96 Å
9GU1 Human adult muscle nAChR in resting state in nanodisc with alpha-bungarotoxin Deposited 2024-09-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 11 PDB declaration: 11-meric	Chain I 22–95（74 aa） Chain J 22–95（74 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CU COPPER (II) ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5；20 mM HEPES pH 7.5, 150 mM NaCl cryo-EM vitrification conditions Cryogen ETHANE；2.5 uL of sample was frozen; blot time 4.5 s, blot force -10	Resolution 2.48 Å
9HUB D11 mAbs bound to alpha-Bungarotoxin at pH 7.5 Deposited 2024-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain X 1–95（95 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M HEPES pH 7.5, 70% (v/v) MPD)	Resolution 1.33 Å R-free 0.195
9HUB D11 mAbs bound to alpha-Bungarotoxin at pH 7.5 Deposited 2024-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain Z 1–95（95 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M HEPES pH 7.5, 70% (v/v) MPD)	Resolution 1.33 Å R-free 0.195

24 other PDB entries and 25 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	3L21A_BUNMU
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain I； PDBConstruct 1–74； UniProt 22–95

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	8da1
Deposition date deposition_date	2022-06-12
Structure title title	Crystal structure of Krait alpha-neurotoxin in complex with Centi-LNX-D09 antibody
Keywords keywords	antivenom, 3-finger toxin, alpha-neurotoxin, long neurotoxin 1, antibody, ANTITOXIN, IMMUNE SYSTEM, ANTITOXIN-TOXIN complex; IMMUNE SYSTEM, ANTITOXIN/TOXIN
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	28.25 Å
Radius of gyration Rg (electron density) rg_electron	27.50 Å
Forward intensity I(0) i0	52561200.00
Molecular weight molecular_weight	55198.0 kDa
Excluded volume excluded_volume	68462 Å³
Envelope volume envelope_volume	89659 Å³
Hydration-shell volume shell_volume	28135 Å³
Envelope diameter envelope_diameter	100.4 Å
Shell Rg shell_rg	33.87 Å
Envelope Rg envelope_rg	27.25 Å
Shape Rg shape_rg	27.43 Å
Total Rg total_rg	28.39 Å
Total atoms total_atoms	3879
Residues n_residues	501
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	96.2 Å
Rg (real space) rg_real	28.36 Å
Rg uncertainty (real space) rg_real_error	0.83 Å
I(0) (real space) i0_real	5.2560e+07
I(0) uncertainty (real space) i0_real_error	8.3590e+05
Rg (reciprocal space) rg_reciprocal	28.33 Å
I(0) (reciprocal space) i0_reciprocal	52560000.0000
Solution quality estimate total_estimate	0.7066
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	30.9 Å
Skewness Skewness skewness	0.408
Kurtosis Kurtosis kurtosis	-0.296
Angular range angular_range	— – 0.2800 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	6241000.0000
Real-space data points n_real_points	57
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.864; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 0.909; Smooth: 0.954

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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	Centi-LNX-D09 Fab light chain
Molecular weight formula_weight	23339.7 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	3882

EIVLTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYAASSLESGVPSRFSGSGSGTDFTLTISSQQPEDFATYYCQQANSFPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

来源 Source

来源生物 organism	Homo sapiens
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Homo sapiens

Entity 2 Entity 2 polymer

Description description	Centi-LNX-D09 Fab heavy chain
Molecular weight formula_weight	25133.0 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

EVQLVESGGGFVQPGGSLRLSCAASGFTFSNFDMHWVRQSPGKGLEWVSGLDHSGGAHYAGSVKGRFTISREDAKNSLDLQMNNLRVDDTAVYFCVRGTLYHYTSGSYYSDAFDIWGQGTLVTVSSASVKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTGLE

来源 Source

来源生物 organism	Homo sapiens
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Homo sapiens

Entity 3 Entity 3 polymer

Description description	Alpha-bungarotoxin
Molecular weight formula_weight	8005.3 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	I

IVCHTTATSPISAVTCPPGENLCYRKMWCDAFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNPHPKQRPG

来源 Source

来源生物 organism	Bungarus multicinctus
通用名 common_name	many-banded krait
NCBI Class编号 ncbi_taxonomy_id	8616
宿主生物 host_organism	Homo sapiens

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	3

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7. Fold Classification (SCOP + CATH) 3 domains

CATH v4.4 (3 domains)

Domain ID domain_id	8da1A01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	8da1A02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	8da1B01
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	148.326 Å
Unit-cell length b length_b	63.862 Å
Unit-cell length c length_c	77.437 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	101.57 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	2.670 Å
Low-resolution limit resolution_low	29.510 Å
R factor r_factor	0.1987
R_work r_work	0.1957
R_free r_free	0.2528

fit	/app/data/saxs_computation/da/8da1/8da1.fit
pddf	/app/data/pr_computation/da/8da1/8da1.pr.out
profile	/app/data/saxs_computation/da/8da1/8da1.dat

Crystal structure of Krait alpha-neurotoxin in complex with Centi-LNX-D09 antibody

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

Alpha-bungarotoxin

State in the Current Structure

Other States of the Same Protein in the Database

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

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 polymer

Polymer Polymer

来源 Source

Entity 4 Entity 4 water

7. Fold Classification (SCOP + CATH) 3 domains

CATH v4.4 (3 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)