PDB-9pzi: Crystal Structure of synthetic antibody COP-2 in complex with the...

ID or keywords:

Entry

Database: PDB / ID: 9pzi

Title

Crystal Structure of synthetic antibody COP-2 in complex with the C-terminal domain of Clostridium perfringens enterotoxin

Components

COP-2 Heavy chain
COP-2 Light chain
Heat-labile enterotoxin B chain

Keywords

IMMUNE SYSTEM/TOXIN / ENTEROTOXIN / SYNTHETIC ANTIBODY / TOXIN / IMMUNE SYSTEM-TOXIN complex

Function / homology

Clostridium enterotoxin / Clostridium enterotoxin / toxin activity / extracellular region / Heat-labile enterotoxin B chain

Function and homology information

Biological species

Homo sapiens (human)

Clostridium perfringens (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Vecchio, A.J. / Ogbu, C.P. / Kapoor, S.

Funding support

United States, 2items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R35GM138368	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R01GM117372	United States

Citation

Journal: To Be Published
Title: Crystal Structure of synthetic antibody, COP-2, in complex with the C-terminal domain of Clostridium perfringens Enterotoxin
Authors: Ogbu, C.P. / Kapoor, S. / Vecchio, A.J.

History

Deposition	Aug 11, 2025	Deposition site: RCSB / Processing site: RCSB
Supersession	Aug 20, 2025	ID: 9MXI
Revision 1.0	Aug 20, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9pzi.cif.gz	930.5 KB	Display	PDBx/mmCIF format
PDB format	pdb9pzi.ent.gz	791.2 KB	Display	PDB format
PDBx/mmJSON format	9pzi.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9pzi_validation.pdf.gz	489.3 KB	Display	wwPDB validaton report
Full document	9pzi_full_validation.pdf.gz	515.1 KB	Display
Data in XML	9pzi_validation.xml.gz	71.9 KB	Display
Data in CIF	9pzi_validation.cif.gz	93.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/pz/9pzi ftp://data.pdbj.org/pub/pdb/validation_reports/pz/9pzi	HTTPS FTP

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Related structure data

Related structure data	52864 9ihc
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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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)

Deposited unit

C: COP-2 Light chain

D: COP-2 Heavy chain

A: COP-2 Light chain

B: COP-2 Heavy chain

E: COP-2 Light chain

F: COP-2 Heavy chain

G: Heat-labile enterotoxin B chain

I: Heat-labile enterotoxin B chain

H: Heat-labile enterotoxin B chain

207 kDa, 9 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

C: COP-2 Light chain

D: COP-2 Heavy chain

H: Heat-labile enterotoxin B chain

defined by author&software
Evidence: gel filtration, The orientation in the crystal in crystal induced and not present in solution, only a single COP-2/cCpE is in solution as verified by SEC and cryo-EM
69 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: COP-2 Light chain

B: COP-2 Heavy chain

I: Heat-labile enterotoxin B chain

defined by author&software
69 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

E: COP-2 Light chain

F: COP-2 Heavy chain

G: Heat-labile enterotoxin B chain

defined by author&software
69 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	111.475, 198.520, 115.800
Angle α, β, γ (deg.)	90.00, 109.72, 90.00
Int Tables number	5
Space group name H-M	I121

Components on special symmetry positions

ID	Model	Components
1	1	A-308- HOH

#1: Antibody	COP-2 Light chain Mass: 26053.135 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#2: Antibody	COP-2 Heavy chain Mass: 27799.080 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#3: Protein	Heat-labile enterotoxin B chain Mass: 15114.945 Da / Num. of mol.: 3 / Fragment: C-terminal domain (UNP residues 192-319) Source method: isolated from a genetically manipulated source Source: (gene. exp.) Clostridium perfringens (bacteria) / Gene: cpe / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P01558
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 323 / 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: 2.91 Å³/Da / Density % sol: 63 %
Crystal grow	Temperature: 277.15 K / Method: vapor diffusion, sitting drop / pH: 6.6 Details: 200 mM sodium chloride, 1.75 M ammonium sulfate, and 100 mM sodium cacodylate pH 6.6

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.033167 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 2, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.033167 Å / Relative weight: 1
Reflection	Resolution: 2.5→29.74 Å / Num. obs: 81028 / % possible obs: 99.1 % / Redundancy: 2 % / B_iso Wilson estimate: 45.06 Å² / CC_1/2: 0.993 / CC star: 0.998 / R_merge(I) obs: 0.066 / R_pim(I) all: 0.066 / R_rim(I) all: 0.093 / Net I/σ(I): 6.96
Reflection shell	Resolution: 2.5→2.589 Å / Redundancy: 2 % / R_merge(I) obs: 0.535 / Mean I/σ(I) obs: 1.69 / Num. unique obs: 8034 / CC_1/2: 0.506 / CC star: 0.82 / R_pim(I) all: 0.535 / R_rim(I) all: 0.757 / % possible all: 98.32

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Processing

Software

Name	Version	Classification
PHENIX	(1.20.1_4487: ???)	refinement
Aimless		data scaling
DIALS		data reduction
PHASER		phasing
PDB_EXTRACT		data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.5→29.74 Å / SU ML: 0.31 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 22.27 / Stereochemistry target values: ML / Details: TLS, NCS and secondary structure restraints

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2248	3974	4.91 %	Random
R_work	0.1783	-	-	-
obs	-	80904	99.15 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 55.67 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→29.74 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12804	0	0	323	13127

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.015	13116
X-RAY DIFFRACTION	f_angle_d	1.45	17865
X-RAY DIFFRACTION	f_dihedral_angle_d	7.494	1805
X-RAY DIFFRACTION	f_chiral_restr	0.072	2010
X-RAY DIFFRACTION	f_plane_restr	0.012	2267

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 (%)
2.5-2.53	0.3403	172	0.2723	2742	X-RAY DIFFRACTION	99
2.53-2.56	0.333	150	0.2649	2665	X-RAY DIFFRACTION	98
2.56-2.6	0.3167	154	0.2683	2706	X-RAY DIFFRACTION	98
2.6-2.63	0.307	159	0.2516	2670	X-RAY DIFFRACTION	98
2.63-2.67	0.2897	159	0.24	2662	X-RAY DIFFRACTION	97
2.67-2.71	0.2844	174	0.2248	2709	X-RAY DIFFRACTION	99
2.71-2.75	0.2609	155	0.2118	2740	X-RAY DIFFRACTION	100
2.75-2.8	0.2472	141	0.2121	2757	X-RAY DIFFRACTION	100
2.8-2.84	0.2482	163	0.2001	2765	X-RAY DIFFRACTION	100
2.84-2.9	0.262	122	0.2076	2781	X-RAY DIFFRACTION	100
2.9-2.95	0.2352	140	0.2147	2732	X-RAY DIFFRACTION	100
2.95-3.01	0.2981	118	0.2216	2804	X-RAY DIFFRACTION	100
3.01-3.08	0.2684	136	0.2177	2739	X-RAY DIFFRACTION	100
3.08-3.15	0.2839	139	0.1971	2802	X-RAY DIFFRACTION	100
3.15-3.23	0.2429	138	0.198	2729	X-RAY DIFFRACTION	100
3.23-3.32	0.2541	135	0.1885	2794	X-RAY DIFFRACTION	99
3.32-3.41	0.2389	134	0.1854	2728	X-RAY DIFFRACTION	99
3.41-3.52	0.2187	131	0.1805	2748	X-RAY DIFFRACTION	99
3.52-3.65	0.1996	181	0.1778	2692	X-RAY DIFFRACTION	99
3.65-3.79	0.2022	155	0.1679	2722	X-RAY DIFFRACTION	99
3.79-3.97	0.1931	146	0.1622	2719	X-RAY DIFFRACTION	98
3.97-4.17	0.2223	113	0.149	2777	X-RAY DIFFRACTION	100
4.17-4.44	0.1475	122	0.1336	2814	X-RAY DIFFRACTION	100
4.44-4.78	0.1598	126	0.1238	2776	X-RAY DIFFRACTION	100
4.78-5.26	0.1657	128	0.1291	2786	X-RAY DIFFRACTION	100
5.26-6.01	0.1954	144	0.1619	2778	X-RAY DIFFRACTION	100
6.01-7.55	0.213	134	0.186	2736	X-RAY DIFFRACTION	98
7.55-29.74	0.2218	105	0.1627	2858	X-RAY DIFFRACTION	100

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	1.7267	0.2134	0.4804	6.7982	-0.1613	1.4329	-0.1267	0.216	0.1395	-0.3833	0.3558	0.0916	-0.1654	0.0895	-0.1617	0.3731	-0.0302	0.0228	0.541	-0.0193	0.3171	5.48	59.244	-40.137
2	2.1523	0.3858	0.0532	3.028	-0.7011	2.9263	-0.0438	0.1715	0.2714	0.2391	0.148	0.0591	-0.4594	-0.1987	-0.0576	0.3269	-0.0068	0.0261	0.4207	0.005	0.3006	6.657	66.138	-31.628
3	4.0913	-0.5558	1.1147	2.9321	1.8771	3.551	0.2414	-0.2641	-0.6676	0.4522	-0.2019	-0.4583	0.7382	0.0462	-0.0739	0.4339	-0.0091	0.0176	0.3877	0.0041	0.3949	9.616	55.892	-26.14
4	2.254	0.0001	0.6598	1.7922	1.239	1.9646	0.0783	0.4475	-0.0161	-0.1268	-0.1327	-0.105	-0.183	0.0405	0.0323	0.3366	-0.0281	0.0298	0.4471	0.0106	0.3103	7.11	61.593	-33.231
5	0.8968	1.5081	1.2168	7.886	4.0094	2.2962	0.1174	-0.2345	-0.5242	-0.3587	-0.242	0.0531	-0.4385	-0.1908	0.1089	0.4122	-0.034	0.0411	0.3898	-0.0499	0.3911	0.955	41.649	-41.385
6	4.7121	-1.5739	-1.0921	0.6649	0.8154	1.5998	-1.2068	-0.6539	-0.7763	0.3705	0.4288	-0.1062	1.227	-0.8579	0.6205	0.6756	-0.2346	0.2662	0.8938	-0.1386	1.0051	-23.971	28.044	-29.399
7	7.7309	1.3918	-1.5046	1.1582	-0.6507	1.3849	0.4188	0.1276	-0.1263	0.134	-0.3858	0.6512	0.0441	-0.1177	0.0318	0.5346	-0.0644	0.0725	0.5308	-0.2056	0.7154	-15.247	33.941	-40.264
8	6.8597	0.9093	0.5305	3.298	0.5658	4.9441	0.4071	1.1648	0.3932	-0.7985	-0.5226	1.1843	0.6954	-0.6758	-0.0323	0.7548	0.0442	-0.0141	0.8467	-0.1758	0.8605	-24.294	35.375	-42.209
9	1.4756	1.5527	-0.9022	1.7463	-0.8778	1.0334	0.1109	-0.9567	-0.248	0.1603	-0.2638	0.3575	0.0306	-0.1755	0.1317	0.5121	-0.0477	0.0723	0.5689	-0.1973	0.6794	-14.903	35.998	-34.979
10	5.3942	1.7509	0.1493	1.5186	0.0097	0.099	-0.553	0.0895	-1.1804	-0.2432	0.2046	0.6016	0.5579	-0.7489	0.2713	0.6518	-0.138	0.0344	0.7565	-0.2955	1.3136	-26.27	26.381	-41.396
11	8.5007	2.9016	-3.3047	3.6289	-1.8169	4.3717	-0.4772	0.9764	-0.9892	0.2107	0.2482	0.2381	0.661	-0.834	0.3971	0.5492	-0.0474	0.0609	0.5374	-0.263	0.8499	-15.223	25.554	-44.026
12	1.7169	1.4456	2.3333	3.1221	0.009	4.982	0.1148	-0.3727	-0.3732	0.3568	-0.0682	0.1766	0.5337	-0.3184	-0.0442	0.394	-0.0269	0.0939	0.4458	-0.0767	0.2782	-12.652	58.674	-15.328
13	2.3178	0.2481	-0.2762	2.3183	0.1991	1.5892	-0.0329	0.2302	0.0664	-0.0385	0.0194	0.1103	-0.339	-0.1649	0.0085	0.3032	0.0168	0.0302	0.3692	-0.0137	0.2386	-5.89	67.871	-17.845
14	3.2704	-0.1354	-1.3592	4.2163	1.376	0.9944	-0.1172	0.3119	0.2615	-0.1283	-0.2761	0.2413	-0.2593	-0.4233	0.3283	0.3829	-0.0218	0.0462	0.3712	-0.01	0.3051	-13.086	67.107	-15.152
15	2.5587	0.954	0.1693	2.2774	0.0956	1.2976	-0.0183	-0.2425	-0.304	0.0298	-0.1253	-0.0287	0.078	-0.1837	0.0524	0.3679	0.0252	0.057	0.3483	-0.0612	0.3033	-1.619	62.639	-20.869
16	8.3874	-4.8617	0.4833	8.9289	2.2847	6.6316	0.7799	-0.8664	-0.8207	0.0173	-0.2389	0.3172	0.7979	-0.6384	-0.4318	0.6118	-0.1274	0.1714	0.6592	0.1106	0.9705	-19.203	26.923	-25.897
17	3.2019	0.0076	-0.5092	4.0487	1.4225	3.5696	-0.1726	-1.0112	-0.5016	0.799	0.0742	0.1602	0.5992	0.3527	0.1008	0.5779	-0.037	0.081	0.7209	0.0225	0.5694	-14.729	35.749	-23.214
18	0.8923	-0.5918	0.3353	1.6572	0.6587	0.6992	-0.0939	-0.7053	-0.4368	0.4763	-0.3184	0.0086	0.1525	0.4094	0.2179	1.0923	0.0273	0.3504	1.096	0.2995	1.1575	-19.155	31.797	-15.789
19	2.1558	-1.0148	-0.8313	3.0729	-1.9448	4.9402	0.0488	-0.1275	0.4222	0.4989	0.191	0.1562	-0.4726	-0.3303	-0.0796	0.3713	-0.0302	-0.0645	0.3261	-0.0521	0.4969	5.595	31.375	-53.107
20	3.055	-0.2179	-0.7746	4.5548	-0.3383	1.3189	-0.0248	-0.1357	0.2881	0.1779	-0.1136	-0.0876	0.0625	0.1214	0.1408	0.2707	-0.0049	-0.0402	0.2632	-0.0051	0.3697	10.078	22.539	-56.823
21	0.4625	0.0296	0.2681	3.1569	-1.104	2.8927	0.0146	-0.066	-0.0552	-0.0851	-0.2656	0.0247	0.2695	0.2339	0.1359	0.307	0.0256	-0.0136	0.2617	0.0103	0.4406	4.704	22.994	-55.917
22	0.6477	-1.9006	1.5463	5.4166	-4.5358	3.9319	0.1799	0.2685	-0.2855	0.2879	0.2409	0.5288	0.2276	-0.2993	-0.5738	0.3581	0.0176	-0.0353	0.3207	0.0318	0.504	1.356	41.264	-68.049
23	5.8035	1.2359	1.2129	1.9645	0.1374	1.6903	-0.212	0.6798	0.1766	-0.0664	0.1852	0.5421	-0.0512	-0.3936	0.0126	0.4299	-0.0188	-0.0356	0.6783	0.1927	0.5843	-17.621	40.852	-80.454
24	3.6573	-1.0431	1.0358	3.5893	-1.3289	3.6394	-0.08	0.3363	0.781	-0.1521	0.4685	0.5358	-0.8626	-0.9397	-0.5382	0.5636	0.0631	-0.0132	0.6751	0.1745	0.8715	-23.776	44.578	-74.811
25	8.7603	0.2621	2.042	0.2216	-0.1573	2.2148	0.0828	0.334	-0.399	-0.0728	0.126	0.0598	0.0337	-0.2559	-0.3244	0.5045	-0.0499	-0.0312	0.4843	0.1596	0.6918	-14.141	37.889	-76.96
26	3.9899	0.0941	2.2549	1.0484	0.8569	2.3673	-0.5796	0.846	1.1627	-0.5859	0.3442	1.1722	-0.6726	-0.5591	0.2723	0.5164	-0.0427	-0.1712	0.8723	0.3545	0.8764	-19.41	49.415	-82.493
27	2.4552	-0.4608	0.9136	2.594	-1.1013	2.0626	0.0097	0.0126	-0.1219	-0.1485	0.1443	0.6398	0.111	-0.2106	-0.113	0.3609	-0.041	-0.0622	0.2307	-0.0018	0.5505	-5.96	9.202	-59.739
28	3.0998	-2.0605	-0.4225	1.7791	0.9205	1.0549	0.068	0.628	-0.4554	-0.5517	-0.4112	0.7985	0.0019	-0.6038	0.2555	0.7854	-0.1449	-0.1769	1.1947	-0.0639	0.6716	-17.896	32.79	-88.582
29	3.8253	0.2572	0.4933	3.7837	-1.1659	2.5798	-0.3135	0.809	-1.0402	-0.9201	0.3277	-0.0166	0.5947	-0.019	-0.0956	0.5876	-0.1585	-0.0847	0.6436	-0.0747	0.7665	-13.92	26.923	-83.271
30	1.0863	0.4007	-0.7561	3.5552	0.7689	4.7167	-0.2488	-0.1757	0.1191	0.066	-0.1145	0.0697	0.3939	-0.2266	0.3425	0.3418	0.0115	0.0156	0.4512	0.1265	0.336	5.857	56.174	-71.222
31	3.341	-0.737	-0.8609	3.6029	0.3543	2.7156	0.1859	0.0904	-0.0282	-0.6169	0.036	-0.3508	-0.0483	0.2761	-0.1309	0.3316	-0.0128	0.0139	0.3003	0.0514	0.2844	7.46	60.796	-81.238
32	2.3087	0.3073	0.4187	1.1645	-1.0382	4.0108	0.0495	-0.2103	-0.1508	0.0704	0.1172	-0.0319	-0.0808	0.0937	-0.1695	0.3237	0.0083	0.0178	0.3354	0.0341	0.3295	8.545	64.447	-75.752
33	1.3361	-0.8453	-1.9051	1.0684	1.5748	2.9214	-0.0686	-0.2655	-0.1142	-0.0848	-0.1835	0.0488	0.5	-0.5683	0.4267	0.46	0.0084	0.0531	0.5152	0.0048	0.3888	1.032	63.677	-55.039
34	1.7843	0.6834	0.1752	1.2662	-0.0981	0.053	-0.0297	0.0125	0.6276	-0.0884	-0.0585	0.6802	-0.4031	-0.5509	-0.2813	0.6061	0.9204	-0.2181	1.7612	-0.2602	0.7607	-23.454	82.186	-49.626
35	4.1739	-0.3443	-0.3815	1.5431	0.3424	0.2451	0.3577	-0.4695	-0.4059	-0.3444	-0.2162	-0.0142	-0.5624	-2.0304	-0.0378	0.5133	0.2632	-0.1265	1.5775	0.0754	0.1911	-15.209	68.997	-48.825
36	3.2844	1.4538	-4.2261	1.9535	-1.6767	5.4472	0.3017	-0.7242	-0.2893	0.6682	0.2651	0.7911	0.002	-2.6537	-0.0578	0.6728	0.0615	0.0905	1.9297	0.2541	0.5563	-24.312	66.756	-48.86
37	2.7101	-1.8845	-0.5128	1.5107	0.4812	0.256	0.1638	-0.266	0.5617	0.2446	0.0764	0.0799	-0.5257	-1.7363	-0.0614	0.5573	0.2713	0.0165	1.604	0.0616	0.4226	-14.858	72.306	-53.247
38	4.1159	-0.4043	-2.7484	0.5992	0.7117	2.064	0.2367	-1.3167	-0.3486	0.6085	0.018	0.1532	-1.0851	-2.0148	0.1808	0.6891	0.507	0.1634	1.9729	-0.1018	0.2417	-20.368	70.913	-40.689
39	3.5424	-1.492	-0.8325	1.3786	0.2108	2.5557	-0.1001	-0.0832	0.0604	0.0312	0.1677	0.0633	-0.2897	-0.3707	-0.0957	0.3653	0.0607	-0.0046	0.332	0.0771	0.2939	-6.323	73.808	-85.503
40	2.5502	1.6228	2.5901	1.2069	1.2026	3.4897	-0.0473	-0.822	0.2101	0.6625	0.1476	0.0117	-0.7236	-1.1267	0.396	1.4118	1.004	-0.5517	1.3809	-0.1804	0.3569	-16.795	82.255	-52.894
41	4.2676	0.2282	1.1554	0.3112	0.1281	4.1514	-0.7792	-0.2783	1.0281	0.2422	0.411	-0.008	-2.4441	-1.1618	0.2279	1.1338	0.3901	-0.1847	0.7107	-0.0417	0.5964	-13.998	83.803	-60.139
42	4.1483	-0.713	0.6266	2.3065	1.2038	2.1395	-0.1083	-0.1517	-0.5459	1.1868	-0.6143	-0.6567	-0.4252	0.9396	0.464	0.4372	0.0393	0.0108	0.4226	-0.0182	0.4481	21.28	62.977	-101.675
43	3.5378	0.5793	0.02	2.8048	-1.5025	4.1626	-0.0218	0.4409	0.1716	-0.7006	-0.3842	-0.1405	-0.0477	0.7043	0.2009	0.4746	0.0679	0.0016	0.3443	-0.0121	0.3223	16.27	71.58	-118.223
44	1.316	-0.3381	0.6585	2.5685	0.1012	3.3636	0.1102	0.0886	-0.0855	-0.1501	0.0117	0.066	0.1324	-0.163	-0.1156	0.3387	0.0364	0.0343	0.3419	0.0209	0.3326	10.593	65.748	-105.224
45	2.2719	0.1611	0.0329	1.9686	-0.4769	3.5704	0.0064	0.0555	-0.1482	-0.2535	0.0144	-0.0389	0.3404	-0.1023	-0.0141	0.3836	0.0237	0.0105	0.3443	-0.0297	0.3206	10.101	65.145	-109.879
46	2.2166	1.7094	0.2741	7.5644	-0.3742	1.4517	-0.1205	-0.1012	0.1467	0.0126	-0.0634	-0.5858	0.1217	0.319	0.0832	0.4597	-0.0747	-0.0605	0.5646	0.0587	0.4444	-18.086	94.865	-96.473
47	5.9132	1.959	-1.2695	1.6341	-0.9043	3.5411	0.2983	-0.7404	-0.0967	1.4153	-0.3215	0.4242	-0.0023	-0.2942	0.127	0.5241	0.0051	-0.1129	0.4578	0.1007	0.4576	-23.877	83.74	-90.91
48	2.1202	0.4767	-0.2435	3.1486	-1.05	2.6236	0.1146	-0.1632	0.1092	0.1945	-0.1694	0.3054	0.0273	-0.0253	0.0766	0.3772	-0.024	-0.0302	0.3131	-0.0058	0.3699	-27.107	97.328	-96.78
49	2.742	0.3102	-0.6209	2.703	-0.7293	2.9701	0.077	-0.1933	0.3226	0.3871	-0.1576	0.1953	-0.2761	0.0666	0.0542	0.4505	-0.0303	-0.0086	0.3147	0.0435	0.374	-27.686	94.404	-93.538
50	5.9828	0.3313	0.8103	7.2123	-1.5516	1.0756	0.2455	-1.3515	-0.752	2.1341	0.5013	-0.9165	0.2243	-0.0085	-0.6271	1.1281	0.0907	-0.1382	0.7523	0.0504	0.8089	19.892	78.525	-71.542
51	3.7206	-0.1318	-0.1499	3.8006	-1.5042	5.7023	0.0163	0.2949	0.4803	-0.0842	0.092	-0.0798	-0.4064	-0.4262	-0.2624	0.4492	0.0748	0.1	0.3214	0.0011	0.4755	23.814	93.204	-100.353
52	1.5403	0.0289	-0.9458	2.6147	-0.3881	2.9098	0.1627	-0.1079	0.2236	0.0382	-0.0309	-0.1304	-0.2079	0.1361	-0.113	0.4017	0.0147	0.0464	0.2788	-0.0335	0.3603	30.792	85.632	-92.848
53	2.5344	-0.7181	-1.5529	1.7459	0.0378	7.4006	0.115	-0.6021	0.1588	0.2316	-0.2989	0.1795	-0.9884	0.3475	0.2054	0.5232	-0.0474	0.1342	0.2945	-0.0627	0.5706	29.943	94.957	-90.855

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN C AND RESID 2:50 )	C	2 - 50
2	X-RAY DIFFRACTION	2	( CHAIN C AND RESID 51:63 )	C	51 - 63
3	X-RAY DIFFRACTION	3	( CHAIN C AND RESID 64:86 )	C	64 - 86
4	X-RAY DIFFRACTION	4	( CHAIN C AND RESID 87:127 )	C	87 - 127
5	X-RAY DIFFRACTION	5	( CHAIN C AND RESID 128:139 )	C	128 - 139
6	X-RAY DIFFRACTION	6	( CHAIN C AND RESID 140:154 )	C	140 - 154
7	X-RAY DIFFRACTION	7	( CHAIN C AND RESID 155:176 )	C	155 - 176
8	X-RAY DIFFRACTION	8	( CHAIN C AND RESID 177:189 )	C	177 - 189
9	X-RAY DIFFRACTION	9	( CHAIN C AND RESID 190:212 )	C	190 - 212
10	X-RAY DIFFRACTION	10	( CHAIN C AND RESID 213:223 )	C	213 - 223
11	X-RAY DIFFRACTION	11	( CHAIN C AND RESID 224:237 )	C	224 - 237
12	X-RAY DIFFRACTION	12	( CHAIN D AND RESID 4:43 )	D	4 - 43
13	X-RAY DIFFRACTION	13	( CHAIN D AND RESID 44:93 )	D	44 - 93
14	X-RAY DIFFRACTION	14	( CHAIN D AND RESID 94:117 )	D	94 - 117
15	X-RAY DIFFRACTION	15	( CHAIN D AND RESID 118:158 )	D	118 - 158
16	X-RAY DIFFRACTION	16	( CHAIN D AND RESID 159:173 )	D	159 - 173
17	X-RAY DIFFRACTION	17	( CHAIN D AND RESID 174:242 )	D	174 - 242
18	X-RAY DIFFRACTION	18	( CHAIN D AND RESID 243:252 )	D	243 - 252
19	X-RAY DIFFRACTION	19	( CHAIN A AND RESID 2:50 )	A	2 - 50
20	X-RAY DIFFRACTION	20	( CHAIN A AND RESID 51:100 )	A	51 - 100
21	X-RAY DIFFRACTION	21	( CHAIN A AND RESID 101:127 )	A	101 - 127
22	X-RAY DIFFRACTION	22	( CHAIN A AND RESID 128:139 )	A	128 - 139
23	X-RAY DIFFRACTION	23	( CHAIN A AND RESID 140:176 )	A	140 - 176
24	X-RAY DIFFRACTION	24	( CHAIN A AND RESID 177:189 )	A	177 - 189
25	X-RAY DIFFRACTION	25	( CHAIN A AND RESID 190:212 )	A	190 - 212
26	X-RAY DIFFRACTION	26	( CHAIN A AND RESID 213:237 )	A	213 - 237
27	X-RAY DIFFRACTION	27	( CHAIN B AND RESID 4:158 )	B	4 - 158
28	X-RAY DIFFRACTION	28	( CHAIN B AND RESID 159:173 )	B	159 - 173
29	X-RAY DIFFRACTION	29	( CHAIN B AND RESID 174:252 )	B	174 - 252
30	X-RAY DIFFRACTION	30	( CHAIN E AND RESID 2:50 )	E	2 - 50
31	X-RAY DIFFRACTION	31	( CHAIN E AND RESID 51:63 )	E	51 - 63
32	X-RAY DIFFRACTION	32	( CHAIN E AND RESID 64:127 )	E	64 - 127
33	X-RAY DIFFRACTION	33	( CHAIN E AND RESID 128:139 )	E	128 - 139
34	X-RAY DIFFRACTION	34	( CHAIN E AND RESID 140:154 )	E	140 - 154
35	X-RAY DIFFRACTION	35	( CHAIN E AND RESID 155:176 )	E	155 - 176
36	X-RAY DIFFRACTION	36	( CHAIN E AND RESID 177:189 )	E	177 - 189
37	X-RAY DIFFRACTION	37	( CHAIN E AND RESID 190:212 )	E	190 - 212
38	X-RAY DIFFRACTION	38	( CHAIN E AND RESID 213:237 )	E	213 - 237
39	X-RAY DIFFRACTION	39	( CHAIN F AND RESID 4:163 )	F	4 - 163
40	X-RAY DIFFRACTION	40	( CHAIN F AND RESID 164:184 )	F	164 - 184
41	X-RAY DIFFRACTION	41	( CHAIN F AND RESID 185:252 )	F	185 - 252
42	X-RAY DIFFRACTION	42	( CHAIN G AND RESID 201:210 )	G	201 - 210
43	X-RAY DIFFRACTION	43	( CHAIN G AND RESID 211:227 )	G	211 - 227
44	X-RAY DIFFRACTION	44	( CHAIN G AND RESID 228:284 )	G	228 - 284
45	X-RAY DIFFRACTION	45	( CHAIN G AND RESID 285:322 )	G	285 - 322
46	X-RAY DIFFRACTION	46	( CHAIN I AND RESID 200:217 )	I	200 - 217
47	X-RAY DIFFRACTION	47	( CHAIN I AND RESID 218:227 )	I	218 - 227
48	X-RAY DIFFRACTION	48	( CHAIN I AND RESID 228:284 )	I	228 - 284
49	X-RAY DIFFRACTION	49	( CHAIN I AND RESID 285:321 )	I	285 - 321
50	X-RAY DIFFRACTION	50	( CHAIN H AND RESID 197:204 )	H	197 - 204
51	X-RAY DIFFRACTION	51	( CHAIN H AND RESID 205:227 )	H	205 - 227
52	X-RAY DIFFRACTION	52	( CHAIN H AND RESID 228:302 )	H	228 - 302
53	X-RAY DIFFRACTION	53	( CHAIN H AND RESID 303:322 )	H	303 - 322

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