4ki5

Cystal structure of human factor VIII C2 domain in a ternary complex with murine inhbitory antibodies 3E6 and G99

Method: X-RAY DIFFRACTION D_max: 159.3 Å Quality: REASONABLE

▼

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

Coagulation factor VIII

Homo sapiens

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 × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain M； UniProt 2190–2351	Fragment：C2 domain	MURINE MONOCLONAL 3E6 FAB HEAVY CHAIN × 1 MURINE MONOCLONAL 3E6 FAB LIGHT CHAIN × 1 MURINE MONOCLONAL G99 FAB HEAVY CHAIN × 1 MURINE MONOCLONAL G99 FAB LIGHT CHAIN × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；28% PEG-1000, 0.15 M sodium acetate, 0.025 M Tris-HCl, 0.05 M NaCl, 0.15 M ammonium nitrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.47 Å R-free 0.238

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 4KI5	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
12JP Structural determination of lipid-bound Factor VIII Deposited 2026-04-08	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 20–2351（2332 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions	Resolution 3.46 Å
12JV Structural determination of lipid-bound Factor VIII Deposited 2026-04-08	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 20–2351（2332 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions	Resolution 3.56 Å
1CFG MEMBRANE-BINDING PEPTIDE FROM THE C2 DOMAIN OF FACTOR VIII FORMS AN AMPHIPATHIC STRUCTURE AS DETERMINED BY NMR SPECTROSCOPY Deposited 1994-11-10	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 2322–2343（22 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
1D7P Crystal structure of the c2 domain of human factor viii at 1.5 a resolution at 1.5 A Deposited 1999-10-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain M 2190–2348（159 aa） Fragment：C2-DOMAIN	Mutation：S2296C	SO4 SULFATE ION × 2 CYS CYSTEINE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；AMMONIUM SULFATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K	Resolution 1.50 Å R-free 0.215
1FAC COAGULATION FACTOR VIII, NMR, 1 STRUCTURE Deposited 1996-06-30	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 2322–2342（21 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4；308.3 K	Resolution not provided
1IQD Human Factor VIII C2 Domain complexed to human monoclonal BO2C11 Fab. Deposited 2001-07-21	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 2193–2348（156 aa） Fragment：C-TERMINAL DOMAIN	Mutation：S2296C	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；PEG8000, sodium chloride, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.00 Å R-free 0.253
2R7E Crystal Structure Analysis of Coagulation Factor VIII Deposited 2007-09-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 19–760（742 aa） Fragment：residues 19-760 Chain B 1582–2351（770 aa） Fragment：residues 1582-2351	Mutation：F1838S	CA CALCIUM ION × 3 CU COPPER (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；8-10% PEG 8000, 0.1M Imidazole, 100-300 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 3.70 Å R-free 0.347
3CDZ Crystal structure of human factor VIII Deposited 2008-02-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 20–759（740 aa） Fragment：B-domain deleted (UNP residues 20-764) Chain B 1668–2351（684 aa） Fragment：B-domain deleted (UNP residues 1668-2351)	Not recorded	CU COPPER (II) ION × 2 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；100 mM Tris-HCl, 10% EtOH, 7% PEG 3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.98 Å R-free 0.327
3HNB Factor VIII Trp2313-His2315 segment is involved in membrane binding as shown by crystal structure of complex between factor VIII C2 domain and an inhibitor Deposited 2009-05-31	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain M 2189–2347（159 aa） Fragment：C2 domain of Factor VIIIa light chain, UNP residues 2189-2347	Not recorded	768 (2R)-1-(2,4-dichlorophenoxy)-3-[(2E)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；2.8M sodium chloride, 0.1M Tris-HCl, 3% glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.15 Å R-free 0.220
3HNY Factor VIII Trp2313-His2315 segment is involved in membrane binding as shown by crystal structure of complex between factor VIII C2 domain and an inhibitor Deposited 2009-06-01	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain M 2189–2347（159 aa） Fragment：factor VIII c2 domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；2.8M sodium chloride, 0.1M Tris-HCl, 3% glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.07 Å R-free 0.201
3HOB Factor VIII Trp2313-His2315 segment is involved in membrane binding as shown by crystal structure of complex between factor VIII C2 domain and an inhibitor Deposited 2009-06-01	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain M 2189–2347（159 aa） Fragment：factor VIII c2 domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；30.0% PEG 2000, MME 0.15M KBr, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.07 Å R-free 0.263
3HOB Factor VIII Trp2313-His2315 segment is involved in membrane binding as shown by crystal structure of complex between factor VIII C2 domain and an inhibitor Deposited 2009-06-01	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2189–2347（159 aa） Fragment：factor VIII c2 domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；30.0% PEG 2000, MME 0.15M KBr, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.07 Å R-free 0.263
3J2Q Model of membrane-bound factor VIII organized in 2D crystals Deposited 2012-12-11	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 Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 20–764（745 aa） Fragment：UNP residues 20-764 Chain B 1668–2351（684 aa） Fragment：UNP residues 1668-2351	Not recorded	CU COPPER (II) ION × 2 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	ELECTRON CRYSTALLOGRAPHY mmCIF provides none of the parsed conditions	Resolution 15.00 Å
3J2S Membrane-bound factor VIII light chain Deposited 2012-12-21	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 B 1710–2351（642 aa） Fragment：UNP residues 1710-2356	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer 20 mM Tris-HCl, 150 mM NaCl, 5mM CaCl2；pH 7.4；20 mM Tris-HCl, 150 mM NaCl, 5mM CaCl2 cryo-EM vitrification conditions Blot for 3.5 seconds before plunging；95 K；Cryogen ETHANE；Blot for 3.5 seconds before plunging into liquid ethane (Vitrobot Mark III)	Resolution 15.00 Å
4BDV CRYSTAL STRUCTURE OF A TRUNCATED B-DOMAIN HUMAN FACTOR VIII Deposited 2012-10-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 20–769（750 aa） Fragment：COAGULATION FACTOR VIII, RESIDUES 20-769,1657-1666 Chain A 1657–1666（10 aa） Fragment：COAGULATION FACTOR VIII, RESIDUES 20-769,1657-1666 Chain B 1667–2351（685 aa） Fragment：RESIDUES 1667-2351	Not recorded	ZN ZINC ION × 1 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 CU1 COPPER (I) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；3% PEG550, 0.100 M NACL, 0.100 M TRIS-HCL PH 7.5, 10% ETHANOL	Resolution 3.98 Å R-free 0.246
4PT6 The discobody: an engineered discoidin domain from factor VIII that binds v 3 integrin with antibody-like affinities Deposited 2014-03-10	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2190–2351（162 aa） Fragment：unp residues 2190-2351	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.10 Å R-free 0.252
4PT6 The discobody: an engineered discoidin domain from factor VIII that binds v 3 integrin with antibody-like affinities Deposited 2014-03-10	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 2190–2351（162 aa） Fragment：unp residues 2190-2351	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.10 Å R-free 0.252
4XZU Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody Deposited 2015-02-05	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain M 2193–2346（154 aa）	Not recorded	MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；12-18% PEG 8000, MES, 0-200 mM magnesium chloride	Resolution 2.61 Å R-free 0.267
4XZU Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody Deposited 2015-02-05	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain G 2193–2346（154 aa）	Not recorded	MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；12-18% PEG 8000, MES, 0-200 mM magnesium chloride	Resolution 2.61 Å R-free 0.267
5K8D Crystal structure of rFVIIIFc Deposited 2016-05-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 20–759（740 aa） Chain B 1713–2350（638 aa）	Not recorded	CA CALCIUM ION × 3 CU COPPER (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.3；297 K；5% Ethanol, 100mM TRIS pH 7.3	Resolution 4.19 Å R-free 0.362
6MF0 Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII Deposited 2018-09-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: monomeric	Chain A 387–761（375 aa） Fragment：UNP residues 1-386 (pig), 387-761 (human), 762-771,1438-1820 (pig), 2039-2351 (human) Chain A 2039–2351（313 aa） Fragment：UNP residues 1-386 (pig), 387-761 (human), 762-771,1438-1820 (pig), 2039-2351 (human) Chain B 387–761（375 aa） Fragment：UNP residues 1-386 (pig), 387-761 (human), 762-771,1438-1820 (pig), 2039-2351 (human) Chain B 2039–2351（313 aa） Fragment：UNP residues 1-386 (pig), 387-761 (human), 762-771,1438-1820 (pig), 2039-2351 (human)	Not recorded	CA CALCIUM ION × 2 ZN ZINC ION × 2 CU1 COPPER (I) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16% PEG3350, 0.025 M magnesium chloride, 0.025 M HEPES	Resolution 3.20 Å R-free 0.287
6MF0 Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII Deposited 2018-09-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 387–761（375 aa） Fragment：UNP residues 1-386 (pig), 387-761 (human), 762-771,1438-1820 (pig), 2039-2351 (human) Chain A 2039–2351（313 aa） Fragment：UNP residues 1-386 (pig), 387-761 (human), 762-771,1438-1820 (pig), 2039-2351 (human)	Not recorded	CA CALCIUM ION × 1 ZN ZINC ION × 1 CU1 COPPER (I) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16% PEG3350, 0.025 M magnesium chloride, 0.025 M HEPES	Resolution 3.20 Å R-free 0.287
6MF2 Improved Model of Human Coagulation Factor VIII Deposited 2018-09-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–760（742 aa） Fragment：UNP residues 19-760,1582-2351 Chain A 1582–2351（770 aa） Fragment：UNP residues 19-760,1582-2351	Not recorded	CA CALCIUM ION × 1 ZN ZINC ION × 1 CU1 COPPER (I) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；8-10% PEG8000, 0.1 M imidazole, 100-300 mM sodium chloride	Resolution 3.61 Å R-free 0.284
7K66 Structure of Blood Coagulation Factor VIII in Complex with an Anti-C1 Domain Pathogenic Antibody Inhibitor Deposited 2020-09-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 406–761（356 aa） Chain A 2039–2351（313 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CU COPPER (II) ION × 1 CA CALCIUM ION × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；293 K；17.5 %(w/v) PEG 1500, 50 mM HEPES (pH 7.7)	Resolution 3.92 Å R-free 0.322
7KBT Factor VIII in complex with the anti-C2 domain antibody, G99 Deposited 2020-10-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 387–761（375 aa） Chain A 2039–2351（313 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CU COPPER (II) ION × 1 ZN ZINC ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；8 - 18% PEG 1500, PEG 6K, or PEG 10K and 50mM malic acid, pH 7.	Resolution 4.15 Å R-free 0.338
8G6I Coagulation factor VIII bound to a patient-derived anti-C1 domain antibody inhibitor Deposited 2023-02-15	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 406–761（356 aa） Chain A 2039–2351（313 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4；150 mM NaCl, 20 mM HEPES pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.23 Å
8TY1 Cryo-EM structure of coagulation factor VIII bound to NB2E9 Deposited 2023-08-24	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 392–771（380 aa） Chain A 2039–2351（313 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4；20 mM HEPES (pH 7.4) and 150 mM NaCl cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.46 Å
9D5D Crystal Structure of Blood Coagulation Factor VIII C2 Domain Mutant L2251A/L2252A Deposited 2024-08-13	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain M 2191–2351（161 aa） Fragment：C2 domain (UNP residues 2191-2351)	Mutation：L2251A,L2252A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；4 M potassium formate, 0.1 M Bis-Tris propane, pH 9, 2% w/v PEG2000 MME	Resolution 1.83 Å R-free 0.223
9JBV Structure of Engineered Coagulation Factor VIII with Enhanced Secretion and Coagulation Potential Deposited 2024-08-27	Different construct Different mutation/modification 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 1–764（764 aa） Chain A 1659–2351（693 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.3 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.17 Å

25 other PDB entries and 29 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	FA8_HUMAN
Isoform	—
PDB entities	5
Chains and sequence ranges	Author chain M； PDBConstruct 22–183； UniProt 2190–2351

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.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	4ki5
Deposition date deposition_date	2013-05-01
Structure title title	Cystal structure of human factor VIII C2 domain in a ternary complex with murine inhbitory antibodies 3E6 and G99
Keywords keywords	immunoglobulin fold, discoidin fold, antibody, blood coagulation factor, antigen binding, blood plasma, IMMUNE SYSTEM; IMMUNE SYSTEM
Experimental Method method	X-RAY DIFFRACTION

▼

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

Radius of gyration Rg (Guinier) rg_guinier	45.68 Å
Radius of gyration Rg (electron density) rg_electron	46.51 Å
Forward intensity I(0) i0	189177000.00
Molecular weight molecular_weight	110940.0 kDa
Excluded volume excluded_volume	138050 Å³
Envelope volume envelope_volume	191900 Å³
Hydration-shell volume shell_volume	38591 Å³
Envelope diameter envelope_diameter	167.9 Å
Shell Rg shell_rg	43.35 Å
Envelope Rg envelope_rg	46.73 Å
Shape Rg shape_rg	46.45 Å
Total Rg total_rg	46.56 Å
Total atoms total_atoms	7807
Residues n_residues	1016
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

▼

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

Maximum dimension Dmax dmax	159.3 Å
Rg (real space) rg_real	46.65 Å
Rg uncertainty (real space) rg_real_error	2.11 Å
I(0) (real space) i0_real	1.8920e+08
I(0) uncertainty (real space) i0_real_error	3.9360e+06
Rg (reciprocal space) rg_reciprocal	45.69 Å
I(0) (reciprocal space) i0_reciprocal	189000000.0000
Solution quality estimate total_estimate	0.6769
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	31.9 Å
Skewness Skewness skewness	0.652
Kurtosis Kurtosis kurtosis	-0.337
Angular range angular_range	— – 0.1750 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	12660000.0000
Real-space data points n_real_points	36
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.464; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.216; Smooth: 0.187

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	MURINE MONOCLONAL 3E6 FAB HEAVY CHAIN
Molecular weight formula_weight	23538.4 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C
Atom count atom_count	8074

QIQLVQSGPELKKPGKTVKISCKASDYTFTDYSLHWVKQAPGKGLKWMGWINTETGDPAYADDFKGRFAFSLETSVRTAYLQINNLKNEDTAIYFCAREDDGLASWGQGTTLTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPA

Entity 2 Entity 2 polymer

Description description	MURINE MONOCLONAL 3E6 FAB LIGHT CHAIN
Molecular weight formula_weight	23330.8 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	D

QIVLTQSPAIMSASPGEKVTMTCSASSTVSYMYWYQQKPGSSPRFLISDTSNLASGVPVRFSGSGSGTSYSLTISRIEAEDAATYYCQHWSSYPLTFGGGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Entity 3 Entity 3 polymer

Description description	MURINE MONOCLONAL G99 FAB HEAVY CHAIN
Molecular weight formula_weight	23952.6 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	E

QVQLQQSGAELMKPGASVKISCKATGYTFSSYWIEWVKQRPGHGLEWIGEILPGSGSTNYNERFKGKASFTADSSSNTAYMQLSSLTSEDSAVYYCTRTSYYFGSSYDFDVWGAGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPALLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGP

Entity 4 Entity 4 polymer

Description description	MURINE MONOCLONAL G99 FAB LIGHT CHAIN
Molecular weight formula_weight	23640.0 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	F

DIQMTQSPSSLSASLGERVSLTCRASQEISGYLSWLQQKPDGTIKRLIYAASTLDSSVPKRFSGSRSGSDYSLTISSLDSEDFAVYYCLQYASYPYTFGGGTKVEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Entity 5 Entity 5 polymer

Description description	Coagulation factor VIII
Molecular weight formula_weight	20736.6 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	M

MGSSHHHHHHSSGLVPRGSHMLNSCSMPLGMESKAISDAQITASSYFTNMFATWSPSKARLHLQGRSNAWRPQVNNPKEWLQVDFQKTMKVTGVTTQGVKSLLTSMYVKEFLISSSQDGHQWTLFFQNGKVKVFQGNQDSFTPVVNSLDPPLLTRYLRIHPQSWVHQIALRMEVLGCEAQDLY

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	267

▼

7. Fold Classification (SCOP + CATH) 17 domains

SCOP 2.08 (8 domains)

Domain ID domain_id	d4ki5c_
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	d4ki5d1
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.1.1.0 — automated matches

Domain ID domain_id	d4ki5d2
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.1.1.0 — automated matches

Domain ID domain_id	d4ki5e1
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.1.1.0 — automated matches

Domain ID domain_id	d4ki5e2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d4ki5f1
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.1.1.0 — automated matches

Domain ID domain_id	d4ki5f2
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	d4ki5m_
Class class	b — All beta proteins
Fold Fold fold	b.18 — Galactose-binding domain-like
Superfamily Superfamily superfamily	b.18.1 — Galactose-binding domain-like
Family Family family	b.18.1.2 — Discoidin domain (FA58C, coagulation factor 5/8 C-terminal domain)

CATH v4.4 (9 domains)

Domain ID domain_id	4ki5C01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	4ki5C02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	4ki5D01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	4ki5D02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	4ki5E01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	4ki5E02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	4ki5F01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	4ki5F02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	4ki5M00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	120 — Jelly Rolls
Homologous superfamily homologous superfamily	260 — Galactose-binding domain-like

▶

8. Citations (1)

▶

Unit-cell length a length_a	54.250 Å
Unit-cell length b length_b	71.160 Å
Unit-cell length c length_c	277.850 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 2 21 21
Space-group number int_tables_number	18
Crystal system crystal_system	—

Resolution resolution	2.470 Å
Low-resolution limit resolution_low	56.428 Å
R factor r_factor	0.1903
R_work r_work	0.1877
R_free r_free	0.2380

fit	/app/data/saxs_computation/ki/4ki5/4ki5.fit
pddf	/app/data/pr_computation/ki/4ki5/4ki5.pr.out
profile	/app/data/saxs_computation/ki/4ki5/4ki5.dat

Cystal structure of human factor VIII C2 domain in a ternary complex with murine inhbitory antibodies 3E6 and G99

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

Coagulation factor VIII

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 (6)

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 polymer

Polymer Polymer

Entity 5 Entity 5 polymer

Polymer Polymer

来源 Source

Entity 6 Entity 6 water

7. Fold Classification (SCOP + CATH) 17 domains

SCOP 2.08 (8 domains)

CATH v4.4 (9 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)