PDB-3ri5: C. elegans glutamate-gated chloride channel (GluCl) in complex wi...

ID or keywords:

Entry

Database: PDB / ID: 3ri5

Title

C. elegans glutamate-gated chloride channel (GluCl) in complex with Fab, ivermectin and picrotoxin

Components

(Mouse monoclonal Fab fragment, ...) x 2
Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

Keywords

transport protein/immune system / Membrane protein / transport protein / Cys-loop receptor / ligand-gated ion channel / neurotransmitter receptor / Ivermectin / Picrotoxin / Glycosylation / transport protein-immune system complex

Function / homology

Function and homology information

Neurotransmitter-gated ion-channel transmembrane domain / Acetylcholine Binding Protein; Chain: A, / Neurotransmitter-gated ion-channel ligand-binding domain / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Distorted Sandwich / Immunoglobulins / Up-down Bundle / Immunoglobulin-like / Sandwich / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology

Biological species

Caenorhabditis elegans (invertebrata)

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.4 Å

Authors

Hibbs, R.E. / Gouaux, E.

Citation

Journal: Nature / Year: 2011
Title: Principles of activation and permeation in an anion-selective Cys-loop receptor.
Authors: Hibbs, R.E. / Gouaux, E.

History

Deposition	Apr 12, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 25, 2011	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Oct 19, 2011	Group: Database references
Revision 1.3	Nov 9, 2011	Group: Refinement description
Revision 1.4	Aug 23, 2017	Group: Refinement description / Source and taxonomy / Category: entity_src_gen / software
Revision 1.5	Jul 29, 2020	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_label_asym_id / _struct_ref_seq_dif.details Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.6	Sep 13, 2023	Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.7	Oct 30, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	3ri5_validation.pdf.gz	3.1 MB	Display	wwPDB validaton report
Full document	3ri5_full_validation.pdf.gz	3.2 MB	Display
Data in XML	3ri5_validation.xml.gz	134.4 KB	Display
Data in CIF	3ri5_validation.cif.gz	173.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ri/3ri5 ftp://data.pdbj.org/pub/pdb/validation_reports/ri/3ri5	HTTPS FTP

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Related structure data

Related structure data	3rhwSC 3riaC 3rifC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3rif-d 3rhw-d 3ria-d 2win-1 4tnw-1 2win-2 Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#191 - Nov 2015 Glutamate-gated Chloride Receptors similarity (4) #21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #152 - Aug 2012 cAMP-dependent Protein Kinase similarity (1)

Deposited unit

A: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

B: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

C: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

D: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

E: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

F: Mouse monoclonal Fab fragment, heavy chain

G: Mouse monoclonal Fab fragment, heavy chain

H: Mouse monoclonal Fab fragment, heavy chain

I: Mouse monoclonal Fab fragment, heavy chain

J: Mouse monoclonal Fab fragment, heavy chain

K: Mouse monoclonal Fab fragment, light chain

L: Mouse monoclonal Fab fragment, light chain

M: Mouse monoclonal Fab fragment, light chain

N: Mouse monoclonal Fab fragment, light chain

O: Mouse monoclonal Fab fragment, light chain

hetero molecules

438 kDa, 15 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author

Unit cell

Length a, b, c (Å)	154.843, 154.843, 573.473
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	96
Space group name H-M	P4₃2₁2

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	chain A and (resseq 1:340 ) and (not element H)
2	1	1	chain B and (resseq 1:340 ) and (not element H)
3	1	1	chain C and (resseq 1:339 ) and (not element H)
4	1	1	chain D and (resseq 1:340 ) and (not element H)
5	1	1	chain E and (resseq 1:340 ) and (not element H)
1	1	2	chain F and (resseq 1:120 ) and (not element H)
2	1	2	chain G and (resseq 1:120 ) and (not element H)
3	1	2	chain H and (resseq 1:120 ) and (not element H)
4	1	2	chain I and (resseq 1:120 ) and (not element H)
5	1	2	chain J and (resseq 1:120 ) and (not element H)
1	1	3	chain K and (resseq 1:108 ) and (not element H)
2	1	3	chain L and (resseq 1:108 ) and (not element H)
3	1	3	chain M and (resseq 1:108 ) and (not element H)
4	1	3	chain N and (resseq 1:108 ) and (not element H)
5	1	3	chain O and (resseq 1:108 ) and (not element H)
1	1	4	B349
2	1	4	C350
3	1	4	D349
4	1	4	E349
5	1	4	A349

NCS ensembles :

ID
1
2
3
4

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Protein , 1 types, 5 molecules ABCDE

#1: Protein	Avermectin-sensitive glutamate-gated chloride channel GluCl alpha Mass: 39636.629 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: glc-1, F11A5.10 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: O17793

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Antibody , 2 types, 10 molecules FGHIJKLMNO

#2: Antibody	Mouse monoclonal Fab fragment, heavy chain Mass: 23921.744 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Cell: HYBRIDOMA
#3: Antibody	Mouse monoclonal Fab fragment, light chain Mass: 22618.156 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Cell: HYBRIDOMA

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Sugars , 2 types, 6 molecules

#5: Sugar

ChemComp-LMT / DODECYL-BETA-D-MALTOSIDE

Type: D-saccharide / Mass: 510.615 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₂₄H₄₆O₁₁ / Comment: detergent*YM

#6: Sugar

ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Formula: C₈H₁₅NO₆

Identifier	Type	Program
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

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Non-polymers , 5 types, 11 molecules

#4: Chemical	ChemComp-IVM / (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside / 22,23-DIHYDROAVERMECTIN B1A / IVERMECTIN Mass: 875.093 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₄₈H₇₄O₁₄
#7: Chemical	ChemComp-OCT / N-OCTANE Mass: 114.229 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₈H₁₈
#8: Chemical	ChemComp-UND / UNDECANE / LIPID FRAGMENT Mass: 156.308 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₁H₂₄
#9: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#10: Chemical	ChemComp-RI5 / (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione / PICROTOXIN Mass: 292.284 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₅H₁₆O₆ / Comment: toxin*YM

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Details

Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.99 Å³/Da / Density % sol: 69.15 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 21-23% PEG 400, 50 mM sodium citrate pH 4.5, 70 mM sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.979 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 4, 2010 Details: Mirrors: bent cylinders, stripes of Pt, Rh and clear
Radiation	Monochromator: Cryo-cooled double Si(111) crystal monochromator Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 3.4→50 Å / Num. all: 96197 / Num. obs: 96197 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.5 % / R_merge(I) obs: 0.118 / Net I/σ(I): 10.7
Reflection shell	Resolution: 3.4→3.52 Å / Redundancy: 3.6 % / R_merge(I) obs: 0.682 / Mean I/σ(I) obs: 1.7 / % possible all: 100

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Processing

Software

Name	Version	Classification
HKL-2000		data collection
PHASER		phasing
PHENIX	(phenix.refine: 1.7_650)	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3RHW

3rhw

Resolution: 3.4→49.83 Å / SU ML: 0.32 / σ(F): 0 / Phase error: 23.3 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2476	4564	5.03 %
R_work	0.2318	-	-
obs	0.2326	90748	93.31 %

Solvent computation

Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 38.144 Å² / k_sol: 0.293 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	3.3006 Å²	0 Å²	-0 Å²
2-	-	3.3006 Å²	-0 Å²
3-	-	-	-6.7805 Å²

Refinement step

Cycle: LAST / Resolution: 3.4→49.83 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	28679	0	488	0	29167

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	29968
X-RAY DIFFRACTION	f_angle_d	0.72	40931
X-RAY DIFFRACTION	f_dihedral_angle_d	13.767	10764
X-RAY DIFFRACTION	f_chiral_restr	0.046	4802
X-RAY DIFFRACTION	f_plane_restr	0.002	5043

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	2716	X-RAY DIFFRACTION	POSITIONAL
1	2	B	2716	X-RAY DIFFRACTION	POSITIONAL	0.011
1	3	C	2706	X-RAY DIFFRACTION	POSITIONAL	0.012
1	4	D	2716	X-RAY DIFFRACTION	POSITIONAL	0.011
1	5	E	2716	X-RAY DIFFRACTION	POSITIONAL	0.011
2	1	F	949	X-RAY DIFFRACTION	POSITIONAL
2	2	G	949	X-RAY DIFFRACTION	POSITIONAL	0.023
2	3	H	949	X-RAY DIFFRACTION	POSITIONAL	0.011
2	4	I	949	X-RAY DIFFRACTION	POSITIONAL	0.009
2	5	J	949	X-RAY DIFFRACTION	POSITIONAL	0.01
3	1	K	804	X-RAY DIFFRACTION	POSITIONAL
3	2	L	804	X-RAY DIFFRACTION	POSITIONAL	0.011
3	3	M	804	X-RAY DIFFRACTION	POSITIONAL	0.01
3	4	N	804	X-RAY DIFFRACTION	POSITIONAL	0.009
3	5	O	804	X-RAY DIFFRACTION	POSITIONAL	0.032
4	1	A	62	X-RAY DIFFRACTION	POSITIONAL
4	2	B	62	X-RAY DIFFRACTION	POSITIONAL	0.01
4	3	C	62	X-RAY DIFFRACTION	POSITIONAL	0.008
4	4	D	62	X-RAY DIFFRACTION	POSITIONAL	0.008
4	5	E	62	X-RAY DIFFRACTION	POSITIONAL	0.008

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
3.4-3.4361	0.3553	132	0.3497	2536	X-RAY DIFFRACTION	83
3.4361-3.4765	0.3244	130	0.3257	2535	X-RAY DIFFRACTION	84
3.4765-3.5189	0.2825	124	0.3024	2636	X-RAY DIFFRACTION	87
3.5189-3.5634	0.3302	133	0.3047	2605	X-RAY DIFFRACTION	87
3.5634-3.6103	0.3386	126	0.2971	2655	X-RAY DIFFRACTION	87
3.6103-3.6597	0.358	129	0.2785	2711	X-RAY DIFFRACTION	89
3.6597-3.712	0.2868	137	0.2776	2748	X-RAY DIFFRACTION	90
3.712-3.7674	0.2977	148	0.2686	2773	X-RAY DIFFRACTION	91
3.7674-3.8262	0.2543	138	0.2685	2751	X-RAY DIFFRACTION	91
3.8262-3.8889	0.2724	153	0.2565	2845	X-RAY DIFFRACTION	93
3.8889-3.956	0.2669	155	0.2557	2814	X-RAY DIFFRACTION	93
3.956-4.0279	0.2818	156	0.2454	2843	X-RAY DIFFRACTION	94
4.0279-4.1053	0.2626	154	0.2372	2896	X-RAY DIFFRACTION	95
4.1053-4.1891	0.2283	151	0.2241	2936	X-RAY DIFFRACTION	95
4.1891-4.2801	0.2493	155	0.2118	2893	X-RAY DIFFRACTION	96
4.2801-4.3796	0.216	150	0.2008	2956	X-RAY DIFFRACTION	96
4.3796-4.4891	0.1926	163	0.1911	2903	X-RAY DIFFRACTION	96
4.4891-4.6104	0.1878	173	0.1832	2978	X-RAY DIFFRACTION	97
4.6104-4.7459	0.2035	148	0.1783	2989	X-RAY DIFFRACTION	97
4.7459-4.899	0.1806	160	0.1709	2975	X-RAY DIFFRACTION	97
4.899-5.0739	0.2172	139	0.1864	3002	X-RAY DIFFRACTION	97
5.0739-5.2768	0.2021	162	0.194	2985	X-RAY DIFFRACTION	97
5.2768-5.5167	0.2494	179	0.2123	2996	X-RAY DIFFRACTION	97
5.5167-5.8071	0.2858	171	0.235	2983	X-RAY DIFFRACTION	97
5.8071-6.1704	0.2773	163	0.2463	3013	X-RAY DIFFRACTION	97
6.1704-6.6458	0.2655	174	0.2373	3021	X-RAY DIFFRACTION	97
6.6458-7.3127	0.2404	159	0.2204	3056	X-RAY DIFFRACTION	97
7.3127-8.3665	0.2151	172	0.1955	3033	X-RAY DIFFRACTION	96
8.3665-10.5246	0.2068	170	0.1827	3019	X-RAY DIFFRACTION	94
10.5246-49.8352	0.2795	160	0.3099	3098	X-RAY DIFFRACTION	91

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.0907	0.0724	-0.1472	0.8376	-0.2704	0.3235	-0.0147	0.0557	-0.004	0.1105	0.1563	0.0921	0.0257	-0.0915	-0.081	0.3926	-0.058	0.0033	0.3895	0.094	0.3929	-2.0455	74.1577	38.3631
2	0.3865	-0.1076	-0.0825	0.676	-0.3511	0.229	-0.0239	0.1555	0.0079	-0.0148	0.1917	-0.1137	0.0902	0.0113	-0.082	0.5266	-0.0535	0.0073	0.5205	-0.0554	0.4661	23.0735	71.575	34.9522
3	0.2374	-0.0292	0.0827	0.8891	-0.6027	0.6027	-0.0474	-0.0216	0.0598	-0.0179	0.1407	-0.0814	-0.0094	0.1136	-0.0344	0.4296	-0.0047	-0.0124	0.4315	-0.1022	0.5351	34.5757	80.9533	55.5555
4	0.549	0.0999	0.0554	0.3924	-0.6223	0.7284	0.1011	-0.1046	0.0945	0.019	0.0296	-0.0682	-0.0712	0.0161	-0.063	0.5611	-0.0004	0.0218	0.3423	-0.0894	0.4605	16.7143	89.349	71.5674
5	0.4346	0.1222	0.288	1.0912	-0.1887	0.5026	0.0037	-0.0928	0.1706	0.1518	0.0427	0.0042	-0.0309	-0.1283	-0.0357	0.4513	0.0732	0.1427	0.3766	0.0049	0.4644	-6.0683	85.12	61.0095
6	0.6579	-0.1641	-0.9762	0.8358	0.1525	1.5486	0.2331	-0.482	-0.4358	0.0428	0.1415	-0.246	-0.0433	0.4882	-0.1314	0.455	-0.1085	0.0504	0.8979	0.1431	0.5442	11.146	92.0764	21.3201
7	0.0082	0.0051	-0.0094	0.0046	0.0059	0.0325	0.4851	0.2117	0.5204	0.24	-0.1429	-0.7987	-0.03	0.669	0.0166	0.45	-0.1054	0.0049	1.0713	-0.071	0.7633	34.7635	96.8591	33.2959
8	1.4077	-0.9524	-0.5059	0.6734	0.3522	0.1917	0.0728	-0.1314	0.3088	-0.3635	-0.4778	0.8248	-0.2435	-0.0124	0.3388	1.4554	-0.2973	0.0893	0.5014	-0.1256	0.7344	29.7999	108.6223	57.0448
9	0.6287	0.3742	0.2838	1.3307	-0.7674	0.9148	0.0963	-0.1903	0.0199	0.1154	-0.314	0.3028	0.411	-0.1272	0.0717	1.0192	-0.2264	0.3092	0.7875	-0.2598	1.1766	2.9549	110.9491	60.0067
10	0.0637	0.08	0.0698	0.1136	0.0769	0.0807	0.2469	0.0376	0.3372	-0.3314	0.4295	0.5048	0.1323	-0.0238	-0.3005	0.5098	0.0174	-0.1261	0.8371	-0.011	1.2436	-8.5152	100.8464	37.8231
11	0.6209	0.7436	-0.8029	1.5214	-0.389	1.1503	-0.0535	0.5156	-0.3098	-0.0024	0.077	-0.6481	0.0374	0.1498	-0.1351	0.5505	0.0188	0.0702	0.8051	-0.3424	0.8533	52.9602	46.9678	32.9938
12	0.5065	-0.0713	0.1338	0.0425	0.0644	0.1613	0.0357	0.8348	-0.7173	-0.2745	-0.512	-0.3582	-0.0656	-0.6763	0.089	1.296	0.0941	0.1048	1.7406	-0.2864	1.4365	82.4189	36.976	23.6153
13	1.8096	-0.1745	1.0011	2.3339	0.6362	1.6937	-0.1967	-0.0508	-0.0492	0.0777	0.3817	-0.2376	-0.103	0.6323	-0.1656	0.5625	0.1495	-0.1195	0.8886	-0.2322	0.6229	54.6859	73.3205	87.271
14	2.1264	0.8484	-0.5481	0.4055	-0.6386	1.4476	-0.1935	-0.3086	-0.4341	0.0118	-0.074	-0.2744	-0.1042	-0.0244	0.1211	0.8796	0.0628	-0.2075	0.7793	-0.0418	0.8237	76.5983	71.4193	110.3253
15	2.9868	0.3834	-0.2149	0.8109	0.6778	1.926	0.1711	0.259	-0.158	0.0131	-0.133	0.0303	-0.1702	-0.1084	0.0009	0.4461	0.0063	-0.0865	0.4441	-0.0023	0.4417	-4.9029	41.8944	17.513
16	1.0269	0.2436	0.6103	2.0009	-0.3099	0.8464	0.0814	0.5552	-0.3462	-0.0736	0.1812	-0.1632	0.083	-0.1236	-0.1308	0.5668	-0.1045	-0.1431	0.8221	-0.28	0.6885	-13.0002	20.4536	-7.4319
17	1.3197	0.0191	-0.2536	0.301	0.7548	0.6615	0.2764	-0.4907	0.1418	0.1526	-0.1419	0.028	0.1413	0.0043	-0.0487	0.8898	-0.2288	0.1537	0.975	-0.2147	0.5354	-1.0575	83.8174	105.3723
18	0.2149	0.0044	-0.4929	0.5384	0.0512	0.2933	-0.5774	0.0113	-0.0262	-0.1919	0.7629	-0.0155	0.11	0.0814	-0.0869	1.1949	-0.3934	0.209	1.5286	-0.1677	0.6924	-10.6075	84.5614	138.3834
19	1.5947	0.2599	0.2379	0.4951	0.3186	1.597	0.0042	0.058	0.1737	0.0955	0.0463	0.1178	0.0469	-0.0786	-0.0143	0.5596	-0.0304	0.184	0.494	0.0822	0.6343	-38.574	63.9051	61.9458
20	0.3471	0.0621	-0.1142	1.1582	0.9272	2.0349	-0.1343	0.0707	-0.0698	0.11	-0.0659	0.8909	0.2142	-0.2626	0.1151	0.6635	0.1468	0.176	0.7584	0.169	1.0796	-68.3534	49.7655	65.5897

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 1:340 )	A	1 - 340
2	X-RAY DIFFRACTION	2	( CHAIN B AND ( RESID 1:340 OR RESID 400:400 ) )	B	1 - 340
3	X-RAY DIFFRACTION	2	( CHAIN B AND ( RESID 1:340 OR RESID 400:400 ) )	B	400
4	X-RAY DIFFRACTION	3	( CHAIN C AND ( RESID 1:339 OR RESID 400:400 ) )	C	1 - 339
5	X-RAY DIFFRACTION	3	( CHAIN C AND ( RESID 1:339 OR RESID 400:400 ) )	C	400
6	X-RAY DIFFRACTION	4	( CHAIN D AND RESID 1:340 )	D	1 - 340
7	X-RAY DIFFRACTION	5	( CHAIN E AND ( RESID 1:340 OR RESID 400:400 ) )	E	1 - 340
8	X-RAY DIFFRACTION	5	( CHAIN E AND ( RESID 1:340 OR RESID 400:400 ) )	E	400
9	X-RAY DIFFRACTION	6	( CHAIN B AND RESID 349:349 )	B	349
10	X-RAY DIFFRACTION	7	( CHAIN C AND RESID 350:350 )	C	350
11	X-RAY DIFFRACTION	8	( CHAIN D AND RESID 349:349 )	D	349
12	X-RAY DIFFRACTION	9	( CHAIN E AND RESID 349:349 )	E	349
13	X-RAY DIFFRACTION	10	( CHAIN A AND RESID 349:349 )	A	349
14	X-RAY DIFFRACTION	11	( CHAIN N AND RESID 1:108 ) OR ( CHAIN F AND RESID 1:120 )	N	1 - 108
15	X-RAY DIFFRACTION	11	( CHAIN N AND RESID 1:108 ) OR ( CHAIN F AND RESID 1:120 )	F	1 - 120
16	X-RAY DIFFRACTION	12	( CHAIN N AND RESID 113:185 ) OR ( CHAIN F AND RESID 126:218 )	N	113 - 185
17	X-RAY DIFFRACTION	12	( CHAIN N AND RESID 113:185 ) OR ( CHAIN F AND RESID 126:218 )	F	126 - 218
18	X-RAY DIFFRACTION	13	( CHAIN K AND RESID 1:108 ) OR ( CHAIN G AND RESID 1:120 )	K	1 - 108
19	X-RAY DIFFRACTION	13	( CHAIN K AND RESID 1:108 ) OR ( CHAIN G AND RESID 1:120 )	G	1 - 120
20	X-RAY DIFFRACTION	14	( CHAIN K AND RESID 113:210 ) OR ( CHAIN G AND RESID 126:221 )	K	113 - 210
21	X-RAY DIFFRACTION	14	( CHAIN K AND RESID 113:210 ) OR ( CHAIN G AND RESID 126:221 )	G	126 - 221
22	X-RAY DIFFRACTION	15	( CHAIN H AND RESID 1:120 ) OR ( CHAIN L AND RESID 1:108 )	H	1 - 120
23	X-RAY DIFFRACTION	15	( CHAIN H AND RESID 1:120 ) OR ( CHAIN L AND RESID 1:108 )	L	1 - 108
24	X-RAY DIFFRACTION	16	( CHAIN H AND RESID 126:221 ) OR ( CHAIN L AND RESID 113:210 )	H	126 - 221
25	X-RAY DIFFRACTION	16	( CHAIN H AND RESID 126:221 ) OR ( CHAIN L AND RESID 113:210 )	L	113 - 210
26	X-RAY DIFFRACTION	17	( CHAIN I AND RESID 1:120 ) OR ( CHAIN O AND RESID 1:108 )	I	1 - 120
27	X-RAY DIFFRACTION	17	( CHAIN I AND RESID 1:120 ) OR ( CHAIN O AND RESID 1:108 )	O	1 - 108
28	X-RAY DIFFRACTION	18	( CHAIN I AND RESID 126:221 ) OR ( CHAIN O AND RESID 113:208 )	I	126 - 221
29	X-RAY DIFFRACTION	18	( CHAIN I AND RESID 126:221 ) OR ( CHAIN O AND RESID 113:208 )	O	113 - 208
30	X-RAY DIFFRACTION	19	( CHAIN J AND RESID 1:120 ) OR ( CHAIN M AND RESID 1:108 )	J	1 - 120
31	X-RAY DIFFRACTION	19	( CHAIN J AND RESID 1:120 ) OR ( CHAIN M AND RESID 1:108 )	M	1 - 108
32	X-RAY DIFFRACTION	20	( CHAIN J AND RESID 126:221 ) OR ( CHAIN M AND RESID 113:210 )	J	126 - 221
33	X-RAY DIFFRACTION	20	( CHAIN J AND RESID 126:221 ) OR ( CHAIN M AND RESID 113:210 )	M	113 - 210

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