SAXSdb — 4o9s

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

Retinol-binding protein 4

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 19–201	Not recorded	2RY 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone × 1 EDO 1,2-ETHANEDIOL × 13 CL CHLORIDE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；1M ammonium phosphate dibasic, 0.1M imidazole, 0.2M sodium chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K	Resolution 2.30 Å R-free 0.261
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 19–201	Not recorded	2RY 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone × 1 EDO 1,2-ETHANEDIOL × 13 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；1M ammonium phosphate dibasic, 0.1M imidazole, 0.2M sodium chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K	Resolution 2.30 Å R-free 0.261
3	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 19–201 Chain B； UniProt 19–201	Not recorded	2RY 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone × 2 EDO 1,2-ETHANEDIOL × 26 CL CHLORIDE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；1M ammonium phosphate dibasic, 0.1M imidazole, 0.2M sodium chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K	Resolution 2.30 Å R-free 0.261

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 4O9S	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BRP CRYSTAL STRUCTURE OF THE TRIGONAL FORM OF HUMAN PLASMA RETINOL-BINDING PROTEIN AT 2.5 ANGSTROMS RESOLUTION Deposited 1992-07-27	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 17–198（182 aa）	Not recorded	RTL RETINOL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
1BRQ CRYSTAL STRUCTURE OF THE TRIGONAL FORM OF HUMAN PLASMA RETINOL-BINDING PROTEIN AT 2.5 ANGSTROMS RESOLUTION Deposited 1992-07-27	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 17–198（182 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
1JYD Crystal Structure of Recombinant Human Serum Retinol-Binding Protein at 1.7 A Resolution Deposited 2001-09-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 17–198（182 aa）	Not recorded	GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；289 K；Sodium cacodylate, sodium chloride, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K	Resolution 1.70 Å R-free 0.270
1JYJ Crystal Structure of a Double Variant (W67L/W91H) of Recombinant Human Serum Retinol-binding Protein at 2.0 A Resolution Deposited 2001-09-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 17–198（182 aa）	Mutation：W67L, W91H	GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.1；289 K；Sodium Chloride, Tris/HCl buffer, beta-octyl-glucoside, pH 9.1, VAPOR DIFFUSION, HANGING DROP, temperature 289K	Resolution 2.00 Å R-free 0.229
1QAB The structure of human retinol binding protein with its carrier protein transthyretin reveals interaction with the carboxy terminus of RBP Deposited 1999-02-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain E 24–201（178 aa） Chain F 24–201（178 aa）	Not recorded	RTL RETINOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.20 Å R-free 0.403
1RBP CRYSTALLOGRAPHIC REFINEMENT OF HUMAN SERUM RETINOL BINDING PROTEIN AT 2 ANGSTROMS RESOLUTION Deposited 1990-04-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 17–198（182 aa）	Not recorded	RTL RETINOL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
1RLB RETINOL BINDING PROTEIN COMPLEXED WITH TRANSTHYRETIN Deposited 1995-02-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain E 17–190（174 aa） Chain F 17–190（174 aa）	Not recorded	REA RETINOIC ACID × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 3.10 Å
2WQ9 Crystal Structure of RBP4 bound to Oleic Acid Deposited 2009-08-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–192（174 aa） Fragment：RESIDUES 19-192	Not recorded	CL CHLORIDE ION × 5 OLA OLEIC ACID × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions 3.5 TO 4.2 M NACL, 1M HEPES PH 7.2	Resolution 1.65 Å R-free 0.219
2WQA Complex of TTR and RBP4 and Oleic Acid Deposited 2009-08-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain E 19–194（176 aa） Chain F 19–194（176 aa）	Not recorded	SO4 SULFATE ION × 11 OLA OLEIC ACID × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.85 Å R-free 0.253
2WR6 Structure of the complex of RBP4 with linoleic acid Deposited 2009-08-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–192（174 aa） Fragment：RESIDUES 19-192	Not recorded	CL CHLORIDE ION × 1 ODT (11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions 3.5-4.2M NACL, 0.1M HEPES, PH 7.2	Resolution 1.80 Å R-free 0.227
3BSZ Crystal structure of the transthyretin-retinol binding protein-Fab complex Deposited 2007-12-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric	Chain E 19–194（176 aa） Chain F 19–194（176 aa）	Not recorded	RTL RETINOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；2.35M ammonium phosphate, 10mM sodium citrate, 10mM beta-mercaptoethanol, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 3.38 Å R-free 0.312
3FMZ Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand Deposited 2008-12-22	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–201（183 aa）	Not recorded	2T1 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；289 K；0.4M Mg formate, 0.1M GndHCl, 0.1M Bis-Tris 6.5, vapor diffusion, temperature 289K	Resolution 2.90 Å R-free 0.286
3FMZ Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand Deposited 2008-12-22	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–201（183 aa）	Not recorded	2T1 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；289 K；0.4M Mg formate, 0.1M GndHCl, 0.1M Bis-Tris 6.5, vapor diffusion, temperature 289K	Resolution 2.90 Å R-free 0.286
4PSQ Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand Deposited 2014-03-07	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–201（183 aa） Fragment：UNP residues 19-201	Not recorded	2WL (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone × 1 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1 M ammonium phosphate dibasic, 0.1 M imidazole, pH 8.0, 200 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.40 Å R-free 0.287
4PSQ Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand Deposited 2014-03-07	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–201（183 aa） Fragment：UNP residues 19-201	Not recorded	2WL (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone × 1 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1 M ammonium phosphate dibasic, 0.1 M imidazole, pH 8.0, 200 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.40 Å R-free 0.287
5NTY Structure of non-fluorescent human plasma RBP4 Deposited 2017-04-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–200（182 aa）	Not recorded	PLM PALMITIC ACID × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；279 K；4.5M NaCl, 20mM Na cacodylate, pH 6.8	Resolution 2.00 Å R-free 0.230
5NU2 Structure of non-fluorescent human urine RBP4 Deposited 2017-04-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–200（182 aa）	Not recorded	PLM PALMITIC ACID × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；4.3 M NaCl, 100 mM Hepes, pH 7.5	Resolution 1.50 Å R-free 0.184
5NU6 Structure of non-fluorescent human amniotic fluid RBP4 Deposited 2017-04-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–200（182 aa）	Not recorded	PLM PALMITIC ACID × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；4.3 M NaCl, 100 mM Hepes, pH 7.5	Resolution 1.68 Å R-free 0.197
5NU7 Structure of human holo plasma RBP4 Deposited 2017-04-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–200（182 aa）	Not recorded	RTL RETINOL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；277 K；4.5 M NaCl, 20 mM Na cacodylate, pH 6.8	Resolution 1.50 Å R-free 0.210
5NU8 Structure of human urine RBP4 saturated with palmitate Deposited 2017-04-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–200（182 aa）	Not recorded	PLM PALMITIC ACID × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；4.3 M NaCl, 100 mM Hepes, pH 7.5	Resolution 1.59 Å R-free 0.212
5NU9 Structure of human amniotic fluid RBP4 saturated with palmitate Deposited 2017-04-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–200（182 aa）	Not recorded	PLM PALMITIC ACID × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；4.3 M NaCl, 100 mM Hepes, pH 7.5	Resolution 1.50 Å R-free 0.195
5NUA Structure of human urine RBP4 saturated with laurate Deposited 2017-04-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–200（182 aa）	Not recorded	DAO LAURIC ACID × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；4.3 M NaCl, 100 mM Hepes, pH 7.5	Resolution 1.60 Å R-free 0.197
5NUB Structure of human amniotic fluid RBP4 saturated with laurate Deposited 2017-04-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–200（182 aa）	Not recorded	DAO LAURIC ACID × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；4.3 M NaCl, 100 mM Hepes, pH 7.5	Resolution 1.60 Å R-free 0.205
6QBA Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold Deposited 2018-12-20	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 19–201（183 aa）	Not recorded	2T1 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid × 1 IMD IMIDAZOLE × 5 PEG DI(HYDROXYETHYL)ETHER × 1 ZN ZINC ION × 3 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295.15 K；0.2 M Zn acetate 0.1 M imidazole pH 8 20% PEG 3K	Resolution 1.80 Å R-free 0.221

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

View Construct and Data Evidence

UniProt name	RET4_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 33–215； UniProt 19–201 Author chain B； PDBConstruct 33–215； UniProt 19–201

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	4o9s
Deposition date deposition_date	2014-01-02
Structure title title	Crystal structure of Retinol-Binding Protein 4 (RBP4)in complex with a non-retinoid ligand
Keywords keywords	;retinol binding, Disease mutation, Retinol-binding, Secreted, Sensory transduction, Transport, Vision, Vitamin A, TRANSPORT PROTEIN, PROTEIN BINDING ;; PROTEIN BINDING
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	25.24 Å
Radius of gyration Rg (electron density) rg_electron	24.66 Å
Forward intensity I(0) i0	33049400.00
Molecular weight molecular_weight	42852.0 kDa
Excluded volume excluded_volume	52958 Å³
Envelope volume envelope_volume	67074 Å³
Hydration-shell volume shell_volume	23425 Å³
Envelope diameter envelope_diameter	91.8 Å
Shell Rg shell_rg	30.80 Å
Envelope Rg envelope_rg	24.95 Å
Shape Rg shape_rg	24.62 Å
Total Rg total_rg	25.50 Å
Total atoms total_atoms	2998
Residues n_residues	349
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	87.7 Å
Rg (real space) rg_real	25.36 Å
Rg uncertainty (real space) rg_real_error	0.73 Å
I(0) (real space) i0_real	3.3050e+07
I(0) uncertainty (real space) i0_real_error	4.4600e+05
Rg (reciprocal space) rg_reciprocal	25.32 Å
I(0) (reciprocal space) i0_reciprocal	33050000.0000
Solution quality estimate total_estimate	0.8412
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	25.1 Å
Skewness Skewness skewness	0.473
Kurtosis Kurtosis kurtosis	-0.313
Angular range angular_range	— – 0.3150 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	8151000.0000
Real-space data points n_real_points	64
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.744; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.781; Smooth: 0.918

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	Retinol-binding protein 4
Molecular weight formula_weight	24958.9 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	3235

HISMASMSYYHHHHHHDYDIPTTENLYFQGAMERDCRVSSFRVKENFDKARFSGTWYAMAKKDPEGLFLQDNIVAEFSVDETGQMSATAKGRVRLLNNWDVCADMVGTFTDTEDPAKFKMKYWGVASFLQKGNDDHWIVDTDYDTYAVQYSCRLLNLDGTCADSYSFVFSRDPNGLPPEAQKIVRQRQEELCLARQYRLIVHNGYCDGRSERNLL

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 2 Entity 2 non-polymer

Description description	;1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone ;
Molecular weight formula_weight	446.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	26

Entity 4 Entity 4 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 5 Entity 5 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	231

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d4o9sa_
Class class	b — All beta proteins
Fold Fold fold	b.60 — Lipocalins
Superfamily Superfamily superfamily	b.60.1 — Lipocalins
Family Family family	b.60.1.1 — Retinol binding protein-like

Domain ID domain_id	d4o9sb_
Class class	b — All beta proteins
Fold Fold fold	b.60 — Lipocalins
Superfamily Superfamily superfamily	b.60.1 — Lipocalins
Family Family family	b.60.1.1 — Retinol binding protein-like

CATH v4.4 (2 domains)

Domain ID domain_id	4o9sA00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	128 — Lipocalin
Homologous superfamily homologous superfamily	20 — Calycin beta-barrel core domain

Domain ID domain_id	4o9sB00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	128 — Lipocalin
Homologous superfamily homologous superfamily	20 — Calycin beta-barrel core domain

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8. Citations (1)

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Unit-cell length a length_a	85.737 Å
Unit-cell length b length_b	85.737 Å
Unit-cell length c length_c	118.806 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 65
Space-group number int_tables_number	170
Crystal system crystal_system	—

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	30.000 Å
R factor r_factor	0.2326
R_work r_work	0.2312
R_free r_free	0.2607

fit	/app/data/saxs_computation/o9/4o9s/4o9s.fit
pddf	/app/data/pr_computation/o9/4o9s/4o9s.pr.out
profile	/app/data/saxs_computation/o9/4o9s/4o9s.dat

Crystal structure of Retinol-Binding Protein 4 (RBP4)in complex with a non-retinoid ligand