PDB-4fqq: Crystal Structure of Germline Antibody PGT121-GL Fab

ID or keywords:

Entry

Database: PDB / ID: 4fqq

Title

Crystal Structure of Germline Antibody PGT121-GL Fab

Components

Fab heavy chain
Fab light chain

Keywords

IMMUNE SYSTEM / IG FOLD / ANTI HIV / ANTIBODY

Function / homology

Function and homology information

immunoglobulin complex / adaptive immune response / extracellular region / plasma membrane
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.42 Å

Authors

Scharf, L. / Bjorkman, P.J.

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2012
Title: Complex-type N-glycan recognition by potent broadly neutralizing HIV antibodies.
Authors: Mouquet, H. / Scharf, L. / Euler, Z. / Liu, Y. / Eden, C. / Scheid, J.F. / Halper-Stromberg, A. / Gnanapragasam, P.N. / Spencer, D.I. / Seaman, M.S. / Schuitemaker, H. / Feizi, T. / ...

History

Deposition	Jun 25, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 14, 2012	Provider: repository / Type: Initial release
Revision 1.1	Dec 12, 2012	Group: Database references
Revision 1.2	May 19, 2021	Group: Advisory / Derived calculations / Source and taxonomy Category: entity_src_gen / pdbx_unobs_or_zero_occ_atoms / struct_site Item: _entity_src_gen.gene_src_common_name / _entity_src_gen.host_org_common_name ..._entity_src_gen.gene_src_common_name / _entity_src_gen.host_org_common_name / _entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_strain / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.3	Oct 16, 2024	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_unobs_or_zero_occ_atoms Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4fqq.cif.gz	675.1 KB	Display	PDBx/mmCIF format
PDB format	pdb4fqq.ent.gz	562.2 KB	Display	PDB format
PDBx/mmJSON format	4fqq.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4fqq_validation.pdf.gz	480.4 KB	Display	wwPDB validaton report
Full document	4fqq_full_validation.pdf.gz	501.4 KB	Display
Data in XML	4fqq_validation.xml.gz	75 KB	Display
Data in CIF	4fqq_validation.cif.gz	98.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fq/4fqq ftp://data.pdbj.org/pub/pdb/validation_reports/fq/4fqq	HTTPS FTP

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Related structure data

Related structure data	4fq1C 4fq2C 4fqcC C: citing same article (ref.)
Similar structure data	6fy2-2 4npy-2 3mug-1 4npy-1 6umh-1 4fq1-d 3mug-3 3q6f-6 3q6f-4 3mme-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

4fq1C

4fq2C

4fqcC

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #170 - Feb 2014 Broadly Neutralizing Antibodies similarity (1)

Deposited unit

L: Fab light chain

H: Fab heavy chain

A: Fab light chain

B: Fab heavy chain

C: Fab light chain

D: Fab heavy chain

E: Fab light chain

F: Fab heavy chain

hetero molecules

198 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Fab light chain

B: Fab heavy chain

defined by author&software
49.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Fab light chain

D: Fab heavy chain

hetero molecules

defined by author&software
49.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

E: Fab light chain

F: Fab heavy chain

defined by author&software
49.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

L: Fab light chain

H: Fab heavy chain

hetero molecules

defined by author&software
49.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	54.934, 344.743, 55.230
Angle α, β, γ (deg.)	90.00, 91.95, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Antibody	Fab light chain Mass: 22915.217 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293-6E / Production host: Homo sapiens (human) / References: UniProt: Q8N355*PLUS
#2: Antibody	Fab heavy chain Mass: 26472.586 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293-6E / Production host: homo sapiens (human) / References: UniProt: Q6GMX6*PLUS
#3: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 490 / Source method: isolated from a natural source / Formula: H₂O
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: 2.65 Å³/Da / Density % sol: 53.51 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion / pH: 7 Details: PEG 3350, sodium malonate, MnCl2, pH 7.0, vapor diffusion, temperature 298K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

SSRL

/ Beamline: BL12-2 / Wavelength: 1.033 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 9, 2012

Radiation

Monochromator: LIQUID NITROGEN-COOLED DOUBLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1.033 Å / Relative weight: 1

Reflection

Resolution: 2.419→38.305 Å / Num. all: 74318 / Num. obs: 74318 / % possible obs: 95.5 % / Observed criterion σ(I): -3 / Redundancy: 3.1 % / R_sym value: 0.072 / Net I/σ(I): 11

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	R_sym value	Diffraction-ID	% possible all
2.42-2.55	2.6	0.482	1.6	0.482	1	80.1
2.55-2.7	3.2	0.351	2.1	0.351	1	99
2.7-2.89	3.1	0.224	3.2	0.224	1	98.7
2.89-3.12	3.1	0.144	5	0.144	1	98.1
3.12-3.42	3.1	0.096	7.4	0.096	1	98.4
3.42-3.82	3	0.065	10.8	0.065	1	97.5
3.82-4.42	3.2	0.048	14.5	0.048	1	98.3
4.42-5.41	3.1	0.039	17.4	0.039	1	97.7
5.41-7.65	3.1	0.041	16.4	0.041	1	97.7
7.65-38.305	3.1	0.028	22	0.028	1	96.2

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Processing

Software

Name	Version	Classification
SCALA	3.3.16	data scaling
PHENIX	1.8_1069	refinement
PDB_EXTRACT	3.11	data extraction
XDS		data scaling
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.42→37.44 Å / Occupancy max: 1 / Occupancy min: 0 / SU ML: 0.33 / σ(F): 1.36 / Phase error: 28.02 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.237	1992	2.68 %
R_work	0.194	-	-
obs	0.195	74237	95.5 %
all	-	77751	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 48 Å²

Refinement step

Cycle: LAST / Resolution: 2.42→37.44 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13261	0	2	490	13753

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	13647
X-RAY DIFFRACTION	f_angle_d	0.951	18637
X-RAY DIFFRACTION	f_dihedral_angle_d	12.916	4802
X-RAY DIFFRACTION	f_chiral_restr	0.067	2098
X-RAY DIFFRACTION	f_plane_restr	0.006	2363

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 (%)
2.4188-2.4793	0.3562	95	0.2966	3474	X-RAY DIFFRACTION	64
2.4793-2.5463	0.3558	137	0.2842	5131	X-RAY DIFFRACTION	96
2.5463-2.6213	0.3267	145	0.2653	5382	X-RAY DIFFRACTION	99
2.6213-2.7058	0.3139	140	0.2579	5290	X-RAY DIFFRACTION	99
2.7058-2.8025	0.2915	157	0.2497	5282	X-RAY DIFFRACTION	99
2.8025-2.9147	0.3032	142	0.2446	5418	X-RAY DIFFRACTION	98
2.9147-3.0473	0.3107	147	0.2424	5306	X-RAY DIFFRACTION	98
3.0473-3.2079	0.3196	140	0.2251	5278	X-RAY DIFFRACTION	99
3.2079-3.4087	0.2799	157	0.2104	5259	X-RAY DIFFRACTION	98
3.4087-3.6717	0.2467	151	0.1937	5287	X-RAY DIFFRACTION	97
3.6717-4.0408	0.2141	138	0.1705	5285	X-RAY DIFFRACTION	99
4.0408-4.6246	0.1752	147	0.1396	5320	X-RAY DIFFRACTION	98
4.6246-5.823	0.1472	149	0.1437	5256	X-RAY DIFFRACTION	98
5.823-37.4482	0.2028	147	0.1769	5277	X-RAY DIFFRACTION	97

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	3.7219	-0.8579	0.1602	3.6514	-0.5182	0.9234	0.0272	0.2354	-0.1601	-0.0694	-0.0909	0.2782	0.3674	-0.1531	0.0681	0.4414	-0.0205	-0.0241	0.3196	-0.0388	0.1658	54.0945	-19.1873	12.8731
2	5.823	3.1548	-3.3922	3.0459	-2.7395	4.4353	-0.1676	0.1584	-0.1084	-0.3887	0.1397	-0.2177	-0.1766	-0.0441	-0.0834	0.3282	0.0466	-0.0265	0.2757	-0.04	0.2638	55.3816	20.3889	16.1739
3	1.8885	0.482	-1.0015	7.1366	-0.22	2.5654	0.1791	0.0775	0.2406	-0.6019	-0.1505	0.3093	-0.2575	-0.299	-0.0472	0.2585	0.0862	-0.0756	0.3402	-0.05	0.2554	48.3055	19.9783	15.3477
4	3.3435	-0.4721	0.8767	3.6569	0.1169	1.7495	-0.0141	0.0196	0.2043	-0.1252	-0.0651	-0.3667	-0.1148	0.13	0.0601	0.4463	0.0379	0.0279	0.2823	0.0245	0.1891	81.6909	-29.3479	-12.2902
5	5.0746	-2.0521	3.3712	5.8862	-3.5872	5.4259	-0.0012	0.4179	0.1221	-0.4803	0.041	-0.3436	-0.1148	0.2184	-0.0292	0.4711	0.0579	0.1457	0.316	-0.0202	0.2842	80.2563	-31.7774	-16.5169
6	0.7352	-0.4585	-0.1338	4.0784	-1.1692	1.5088	0.0109	0.0324	-0.2121	-0.565	0.0263	-0.2326	0.3612	0.0229	-0.0365	0.4557	0.102	0.0631	0.3212	0.0282	0.2734	83.2362	-60.8983	-11.523
7	7.0704	-1.3941	-0.6104	4.8284	2.0325	4.1036	0.2467	0.4716	-1.2161	-0.6664	-0.1454	-0.678	0.3225	-0.3064	-0.0951	1.0085	0.1498	0.182	0.4849	0.0449	0.7128	90.8991	-75.0669	-17.7286
8	2.4064	0.4151	0.7616	1.7422	-0.6332	1.1338	0.0688	0.2228	-0.4831	-0.6461	-0.1326	-0.0017	0.6444	0.2173	0.0636	0.7872	0.1219	-0.025	0.3432	-0.0167	0.4429	82.9944	-68.8008	-12.9874
9	7.6013	5.2096	1.7909	2.1432	2.8734	5.2827	0.2945	0.1877	-1.1264	-0.5846	-0.222	-1.4199	0.9044	0.4949	-0.0998	0.5776	0.1741	0.0814	0.3442	0.065	0.5633	89.9508	-71.0624	-6.6093
10	2.0628	-1.0288	-0.0317	3.3753	0.2139	2.3845	-0.1353	-0.4467	0.2342	0.2908	0.0459	0.0192	-0.0505	0.0457	0.1211	0.2058	0.0211	-0.0177	0.4071	-0.1129	0.5361	93.6723	53.4194	-2.3776
11	6.9185	1.5907	0.1438	3.7974	-1.708	0.8815	-0.221	-0.4285	0.5269	0.6718	0.6481	-0.0645	-0.2003	0.7976	-0.4636	0.3349	0.0479	0.0266	0.5266	-0.2682	0.6442	92.0907	58.779	1.9333
12	3.2697	1.1339	-0.2758	3.9385	-0.9547	3.1838	-0.2856	-0.1836	-0.0005	0.3932	0.5014	0.3074	0.2035	0.019	-0.2702	0.3393	0.0747	0.0601	0.4058	-0.0657	0.5741	90.7848	47.4592	-2.0486
13	8.1015	3.4382	-0.7781	9.8694	-0.9992	6.1088	-0.2239	-0.7499	0.9097	-0.0477	-0.6734	-0.9709	-0.64	1.6672	0.8563	0.3647	0.0127	-0.1953	0.6992	-0.0086	0.7021	108.5007	57.5719	-5.6747
14	2.3395	3.0884	1.3365	1.9972	-2.5212	3.8982	-1.4646	-0.2854	-0.6666	0.9365	-0.0309	0.0906	-0.4424	-0.8875	0.7673	0.7771	-0.0656	0.6393	0.4897	-0.0574	0.7003	85.9885	34.9485	4.3956
15	2.7483	-1.4235	-1.5103	5.949	2.4931	4.8623	-0.0727	-0.1176	0.0118	0.745	-0.1809	0.4659	0.0921	-0.2234	0.2197	0.3832	-0.0269	0.1271	0.3525	-0.011	0.3043	93.7953	14.1209	-8.3773
16	3.6293	0.2613	-2.1138	4.4913	-0.1195	3.4656	0.1298	-0.0613	0.0806	0.4139	-0.3989	-0.0191	0.4288	-0.0391	0.1642	0.4676	-0.0691	0.0377	0.4275	-0.0187	0.2593	94.893	19.5454	-2.2675
17	4.7678	0.3438	-0.7627	2.6463	-2.5105	4.5557	-0.1871	-0.244	-0.8755	0.9337	-0.2916	0.2569	1.1278	0.2774	0.4185	0.6672	0.0831	0.0811	0.3458	0.0041	0.3577	99.0147	4.8441	-8.2852
18	3.961	-0.8974	-0.4399	2.6711	-0.9884	1.3272	-0.4175	-0.234	-0.4125	1.6892	0.0204	0.9542	0.6018	-0.3655	0.3126	0.8969	-0.0426	0.3086	0.4444	0.0013	0.6168	89.4253	12.1427	1.004
19	2.6494	-0.8676	0.6477	4.3811	-0.9353	5.5432	-0.0952	-0.278	-0.0192	0.6631	0.0474	0.1049	-0.2542	-0.044	0.0486	0.2881	0.0068	0.0044	0.3055	0.0351	0.4277	101.6594	-103.163	-28.5298
20	2.0932	6.3239	4.0158	5.8993	1.0539	7.0507	-0.456	-0.2205	0.2225	0.3966	0.0133	1.0308	0.6543	-1.2235	0.5503	0.3951	-0.0333	0.1762	0.5919	-0.1199	0.911	85.8846	-107.9573	-32.3564
21	6.3823	6.5137	2.5404	6.5878	2.5537	0.9457	-0.3456	-0.0789	0.2377	1.3909	-0.5683	-0.3661	-1.0502	0.3125	0.7355	1.2073	-0.3543	-0.3216	0.497	0.105	0.9436	108.9765	-85.5791	-22.8072
22	6.9332	-5.3537	5.1753	9.2871	-5.1522	8.6975	0.0167	0.286	0.3116	1.082	-0.289	0.7002	-0.9909	0.2464	0.1235	0.6999	-0.0844	-0.0641	0.3644	0.0082	1.0778	99.1738	-58.9333	-41.5513
23	2.0587	1.1521	0.8541	0.6903	0.2083	3.5422	-0.1525	-0.4262	0.4727	2.2926	0.1048	-0.2687	-0.5458	-0.0997	-0.084	1.591	-0.1739	-0.0073	0.5098	-0.051	0.6993	103.3326	-68.6196	-28.7584
24	0.6604	-0.3804	0.3939	6.0101	2.7201	2.0538	0.2955	-0.6505	0.8862	0.8952	-0.1601	0.0349	-1.0304	-0.0052	-0.0894	1.0747	-0.0898	0.2216	0.4319	-0.068	0.6914	101.0249	-71.7503	-30.5873
25	2.2853	-1.1979	2.1348	1.1606	-1.6421	2.7487	0.151	-0.7282	0.7629	1.3348	-0.0833	0.4239	-0.7867	-0.359	-0.0746	1.6029	-0.0997	0.071	0.5679	-0.0461	1.0326	102.7253	-57.6115	-29.2663
26	4.907	-2.279	2.9427	6.3551	-2.1933	3.6765	0.0882	-0.187	0.3062	0.2687	-0.0081	-0.1566	-0.5665	0.0723	-0.0165	0.4371	0.0018	-0.0186	0.3247	-0.0596	0.2152	71.4688	-2.5163	1.0454
27	2.1936	-0.2545	-1.9674	2.4546	0.6455	1.8044	0.1262	-0.048	-0.0622	-0.3289	-0.0599	-0.0752	0.0014	0.1146	-0.0497	0.4478	0.0442	-0.0556	0.2969	-0.0034	0.1673	71.3355	-12.9968	-1.0659
28	1.5838	-0.3202	-0.9253	6.5258	-3.8494	2.5972	-0.2147	-0.0143	-0.3846	-0.8592	0.0229	-0.0346	0.8582	-0.0136	0.2036	0.7223	0.0179	0.0162	0.3778	-0.0121	0.238	66.9992	-27.3548	6.8267
29	1.1139	-0.3804	-0.2866	3.671	1.2497	2.6477	0.0651	-0.0254	0.0947	-0.4228	0.1475	-0.1522	-0.3351	-0.0646	-0.2014	0.2475	-0.0125	0.0296	0.3231	-0.0139	0.2093	63.9417	13.388	11.7434
30	2.6546	0.8271	0.7388	2.2334	0.8687	7.2946	0.133	-0.3532	-0.0954	-0.1199	0.3718	-0.5418	-0.1482	0.6994	-0.4765	0.1725	0.0188	-0.0043	0.3457	-0.0665	0.3808	68.0709	15.9959	18.7926
31	8.9416	-2.9424	-4.5926	9.7858	8.4619	2.3048	0.1158	-0.3054	0.6613	-0.7802	1.1026	-1.3974	-0.602	1.1451	-1.1515	0.4346	-0.0469	0.0524	0.4268	0.0005	0.4497	72.1501	20.8089	14.951
32	1.3559	-0.1253	0.6524	2.5327	0.7513	3.8468	0.063	0.0394	-0.1285	-0.167	-0.0375	0.0178	0.3475	-0.1547	-0.0147	0.6259	0.0347	0.0307	0.3921	0.0127	0.1912	66.6934	-35.592	-26.4418
33	5.0227	-1.047	-0.6756	6.687	-0.4879	4.6897	0.1397	-0.1236	-0.2682	-1.0547	0.2623	0.4664	0.758	-0.5276	-0.3704	0.5782	-0.0204	-0.1393	0.3437	0.0406	0.3539	69.1016	-65.381	-11.9587
34	4.7005	-1.9043	3.6506	6.5438	-2.1408	5.0897	-0.043	-0.5039	-0.9565	-0.2922	0.1959	0.4613	-0.0724	-0.3067	-0.0833	0.2005	0.0067	0.0006	0.3381	-0.1058	0.4259	106.9553	39.851	-22.0324
35	2.1414	0.5345	-1.3719	3.9429	-0.2378	1.3297	-0.0556	-0.0095	-0.0839	0.0113	0.0934	-0.1321	-0.1374	0.0577	-0.0408	0.1616	0.024	-0.0734	0.3356	-0.0605	0.4011	108.1839	51.4404	-18.8429
36	1.5279	0.5839	-0.3767	3.7827	0.0012	0.3204	-0.11	-0.0402	0.1904	0.0175	0.0618	-0.0431	-0.0931	0.0075	0.0548	0.1883	0.0283	-0.0626	0.3936	-0.0333	0.4201	107.0522	49.3711	-19.2319
37	1.4224	-0.8399	-1.2074	5.0666	-0.0579	1.3708	-0.076	-0.3985	0.807	-0.1984	0.4611	-0.3081	-0.5174	0.1345	-0.2227	0.2204	-0.0612	0.0373	0.391	-0.2382	1.2221	100.7875	68.0856	-11.4854
38	4.5519	-0.2952	1.0915	2.2422	0.6372	2.0282	-0.0072	-0.1914	-0.1873	0.1314	-0.1201	-0.0567	0.0801	-0.2801	0.1365	0.1309	0.0044	-0.0132	0.3326	-0.0221	0.1824	98.649	21.7944	-18.2346
39	3.8302	1.337	0.1847	2.0306	-0.3152	2.9161	0.0541	0.0292	0.0779	0.0022	-0.0979	0.4584	-0.0351	-0.4824	0.032	0.2068	0.0538	-0.0356	0.3464	-0.0698	0.357	93.6091	21.6044	-20.6544
40	1.9084	-0.2025	0.8914	2.567	-0.2758	1.5326	0.0963	0.1551	0.6207	-0.0061	0.068	0.4698	-0.0846	-0.0228	-0.147	0.2071	-0.0176	0.0688	0.3813	0.0864	0.6699	86.0683	-98.9855	-46.2015
41	2.5545	-0.645	0.7824	1.466	0.2148	0.9165	0.1045	0.0157	-0.0439	0.0618	0.0327	0.5499	-0.0184	-0.1088	-0.1503	0.2109	-0.0066	0.0715	0.3903	0.0706	0.8289	89.5175	-106.7793	-42.9624
42	1.9745	1.7608	-1.4792	5.4122	-1.0698	2.1364	0.1311	0.1046	0.2135	0.4258	0.0032	0.8579	-0.4047	0.0089	-0.1583	0.3422	0.0053	0.0371	0.4238	0.1062	0.7877	94.8008	-72.3227	-44.7751
43	5.8432	2.4968	0.696	4.6221	-0.4883	4.6092	0.3202	0.1432	0.4917	0.7431	-0.3464	0.704	-0.3223	0.0941	-0.0392	0.4541	0.0383	0.1493	0.3207	0.1309	0.7615	99.534	-73.0905	-43.5329
44	3.9559	-1.0499	-0.2205	0.9252	0.2356	3.086	-0.045	0.3434	0.3225	0.0037	-0.0622	0.2869	-0.0282	0.3938	0.1027	0.4442	0.0084	0.0024	0.4405	0.2007	0.6331	101.2425	-68.7167	-52.7195

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN L AND RESID 3:107 )	L	3 - 107
2	X-RAY DIFFRACTION	2	( CHAIN L AND RESID 108:138 )	L	108 - 138
3	X-RAY DIFFRACTION	3	( CHAIN L AND RESID 139:212 )	L	139 - 212
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 3:75 )	A	3 - 75
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 76:95 )	A	76 - 95
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 96:151 )	A	96 - 151
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 152:162 )	A	152 - 162
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 163:191 )	A	163 - 191
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 192:210 )	A	192 - 210
10	X-RAY DIFFRACTION	10	( CHAIN C AND RESID 3:61 )	C	3 - 61
11	X-RAY DIFFRACTION	11	( CHAIN C AND RESID 62:75 )	C	62 - 75
12	X-RAY DIFFRACTION	12	( CHAIN C AND RESID 76:91 )	C	76 - 91
13	X-RAY DIFFRACTION	13	( CHAIN C AND RESID 92:102 )	C	92 - 102
14	X-RAY DIFFRACTION	14	( CHAIN C AND RESID 103:114 )	C	103 - 114
15	X-RAY DIFFRACTION	15	( CHAIN C AND RESID 115:150 )	C	115 - 150
16	X-RAY DIFFRACTION	16	( CHAIN C AND RESID 151:174 )	C	151 - 174
17	X-RAY DIFFRACTION	17	( CHAIN C AND RESID 175:191 )	C	175 - 191
18	X-RAY DIFFRACTION	18	( CHAIN C AND RESID 192:209 )	C	192 - 209
19	X-RAY DIFFRACTION	19	( CHAIN E AND RESID 3:91 )	E	3 - 91
20	X-RAY DIFFRACTION	20	( CHAIN E AND RESID 92:102 )	E	92 - 102
21	X-RAY DIFFRACTION	21	( CHAIN E AND RESID 103:114 )	E	103 - 114
22	X-RAY DIFFRACTION	22	( CHAIN E AND RESID 115:130 )	E	115 - 130
23	X-RAY DIFFRACTION	23	( CHAIN E AND RESID 131:151 )	E	131 - 151
24	X-RAY DIFFRACTION	24	( CHAIN E AND RESID 152:181 )	E	152 - 181
25	X-RAY DIFFRACTION	25	( CHAIN E AND RESID 182:209 )	E	182 - 209
26	X-RAY DIFFRACTION	26	( CHAIN H AND RESID 1:17 )	H	1 - 17
27	X-RAY DIFFRACTION	27	( CHAIN H AND RESID 18:87 )	H	18 - 87
28	X-RAY DIFFRACTION	28	( CHAIN H AND RESID 88:103 )	H	88 - 103
29	X-RAY DIFFRACTION	29	( CHAIN H AND RESID 104:175 )	H	104 - 175
30	X-RAY DIFFRACTION	30	( CHAIN H AND RESID 176:203 )	H	176 - 203
31	X-RAY DIFFRACTION	31	( CHAIN H AND RESID 204:215 )	H	204 - 215
32	X-RAY DIFFRACTION	32	( CHAIN B AND RESID 1:119 )	B	1 - 119
33	X-RAY DIFFRACTION	33	( CHAIN B AND RESID 120:213 )	B	120 - 213
34	X-RAY DIFFRACTION	34	( CHAIN D AND RESID 1:17 )	D	1 - 17
35	X-RAY DIFFRACTION	35	( CHAIN D AND RESID 18:72 )	D	18 - 72
36	X-RAY DIFFRACTION	36	( CHAIN D AND RESID 73:100A )	D	73 - 100
37	X-RAY DIFFRACTION	37	( CHAIN D AND RESID 100B:103 )	D	101 - 103
38	X-RAY DIFFRACTION	38	( CHAIN D AND RESID 104:143 )	D	104 - 143
39	X-RAY DIFFRACTION	39	( CHAIN D AND RESID 144:214 )	D	144 - 214
40	X-RAY DIFFRACTION	40	( CHAIN F AND RESID 1:72 )	F	1 - 72
41	X-RAY DIFFRACTION	41	( CHAIN F AND RESID 73:103 )	F	73 - 103
42	X-RAY DIFFRACTION	42	( CHAIN F AND RESID 104:143 )	F	104 - 143
43	X-RAY DIFFRACTION	43	( CHAIN F AND RESID 144:188 )	F	144 - 188
44	X-RAY DIFFRACTION	44	( CHAIN F AND RESID 189:215 )	F	189 - 215

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