PDB-7erb: Crystal structure of human Biliverdin IX-beta reductase B with At...

ID or keywords:

Entry

Database: PDB / ID: 7erb

Title

Crystal structure of human Biliverdin IX-beta reductase B with Ataluren (PTC)

Components

Flavin reductase (NADPH)

Keywords

OXIDOREDUCTASE / platelets / Biliverdin reductase B / BLVRB / inhibitors / NADP / Ataluren

Function / homology

Function and homology information

FMN reductase (NADH) activity / biliverdin reductase [NAD(P)+] activity / biliberdin reductase (NAD+) activity / biliverdin reductase (NADP+) activity / flavin reductase (NADPH) / FMN reductase (NAD(P)H) activity / FMN reductase (NADPH) activity / riboflavin reductase (NADPH) activity / Oxidoreductases; Acting on the CH-CH group of donors; With NAD+ or NADP+ as acceptor / Transferases; Transferring nitrogenous groups; Transferring other nitrogenous groups ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.5 Å

Authors

Griesinger, C. / Lee, D. / Ryu, K.S. / Kim, M. / Ha, J.H.

Citation

Journal: J.Med.Chem. / Year: 2022
Title: Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
Authors: Kim, M. / Ha, J.H. / Choi, J. / Kim, B.R. / Gapsys, V. / Lee, K.O. / Jee, J.G. / Chakrabarti, K.S. / de Groot, B.L. / Griesinger, C. / Ryu, K.S. / Lee, D.

History

Deposition	May 6, 2021	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Jan 19, 2022	Provider: repository / Type: Initial release
Revision 1.1	Feb 23, 2022	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year / _citation_author.identifier_ORCID
Revision 1.2	Nov 29, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7erb.cif.gz	424.1 KB	Display	PDBx/mmCIF format
PDB format	pdb7erb.ent.gz	288.7 KB	Display	PDB format
PDBx/mmJSON format	7erb.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7erb_validation.pdf.gz	4.2 MB	Display	wwPDB validaton report
Full document	7erb_full_validation.pdf.gz	4.2 MB	Display
Data in XML	7erb_validation.xml.gz	47 KB	Display
Data in CIF	7erb_validation.cif.gz	67.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/er/7erb ftp://data.pdbj.org/pub/pdb/validation_reports/er/7erb	HTTPS FTP

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Related structure data

Related structure data	7er6C 7er7C 7er8C 7er9C 7eraC 7ercC 7erdC 7ereC 1he5S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	7ere-1 7erb-2 6hc7-1 1vpa-d 6hc7-2 7era-d 4cbh-1 7er6-d 1n4m-2 1kaq-1 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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#37 - Jan 2003 Serum Albumin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1)

Deposited unit

A: Flavin reductase (NADPH)

B: Flavin reductase (NADPH)

C: Flavin reductase (NADPH)

D: Flavin reductase (NADPH)

hetero molecules

93.3 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Flavin reductase (NADPH)

B: Flavin reductase (NADPH)

hetero molecules

defined by author&software
Evidence: gel filtration
46.6 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Flavin reductase (NADPH)

D: Flavin reductase (NADPH)

hetero molecules

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

Unit cell

Length a, b, c (Å)	83.423, 117.338, 82.045
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

#1: Protein	Flavin reductase (NADPH) / FR / Biliverdin reductase B / BVR-B / Biliverdin-IX beta-reductase / Green heme-binding protein / ...FR / Biliverdin reductase B / BVR-B / Biliverdin-IX beta-reductase / Green heme-binding protein / GHBP / NADPH-dependent diaphorase / NADPH-flavin reductase / FLR Mass: 22148.350 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: BLVRB, FLR / Production host: Escherichia coli (E. coli) References: UniProt: P30043, flavin reductase (NADPH), biliverdin reductase
#2: Chemical	ChemComp-NAP / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE Mass: 743.405 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₁H₂₈N₇O₁₇P₃ / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-JBF / 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Mass: 284.242 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₅H₉FN₂O₃ / Feature type: SUBJECT OF INVESTIGATION / Comment: medication*YM
#4: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: SO₄ / Feature type: SUBJECT OF INVESTIGATION
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 994 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.27 Å³/Da / Density % sol: 45.73 %
Crystal grow	Temperature: 291.15 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: 1.9-2.0M Ammonium sulfate, 0.1M Bis-tris(pH 6.5)

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 11C / Wavelength: 0.97942 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 10, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97942 Å / Relative weight: 1
Reflection	Resolution: 1.5→41.71 Å / Num. obs: 128178 / % possible obs: 99.36 % / Redundancy: 9.4 % / B_iso Wilson estimate: 10.78 Å² / CC_1/2: 0.999 / R_merge(I) obs: 0.111 / Net I/σ(I): 9.77
Reflection shell	Resolution: 1.5→1.555 Å / R_merge(I) obs: 0.4377 / Num. unique obs: 12462 / CC_1/2: 0.818

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Processing

Software

Name	Version	Classification
HKL-2000	1.16_3549	data collection
HKL-2000	1.16_3549	data scaling
PHENIX		model building
PHENIX	1.19.2	refinement
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1HE5

1he5

Resolution: 1.5→41.71 Å / SU ML: 0.1517 / Cross valid method: FREE R-VALUE / σ(F): 1.4 / Phase error: 19.4956
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1986	2004	1.56 %
R_work	0.1708	126060	-
obs	0.1712	128064	99.3 %

Solvent computation

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

Displacement parameters

B_iso mean: 20.74 Å²

Refinement step

Cycle: LAST / Resolution: 1.5→41.71 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6212	0	306	994	7512

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0144	6733
X-RAY DIFFRACTION	f_angle_d	1.4809	9236
X-RAY DIFFRACTION	f_chiral_restr	0.0889	1071
X-RAY DIFFRACTION	f_plane_restr	0.0097	1165
X-RAY DIFFRACTION	f_dihedral_angle_d	12.5344	5319

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 (%)
1.5-1.54	0.3025	141	0.2733	8672	X-RAY DIFFRACTION	96.68
1.54-1.58	0.2895	136	0.2581	8885	X-RAY DIFFRACTION	99
1.58-1.63	0.285	147	0.2329	8926	X-RAY DIFFRACTION	99.4
1.63-1.68	0.2306	138	0.2167	8935	X-RAY DIFFRACTION	99.46
1.68-1.74	0.2362	139	0.2017	8962	X-RAY DIFFRACTION	99.56
1.74-1.81	0.2308	140	0.1884	8953	X-RAY DIFFRACTION	99.69
1.81-1.89	0.2039	149	0.1747	8954	X-RAY DIFFRACTION	99.37
1.89-1.99	0.1784	142	0.1629	9012	X-RAY DIFFRACTION	99.77
1.99-2.12	0.1781	141	0.1554	9018	X-RAY DIFFRACTION	99.73
2.12-2.28	0.1979	144	0.1478	9034	X-RAY DIFFRACTION	99.76
2.28-2.51	0.1588	142	0.1488	9059	X-RAY DIFFRACTION	99.61
2.51-2.87	0.1723	145	0.1535	9114	X-RAY DIFFRACTION	99.82
2.87-3.62	0.175	150	0.1487	9160	X-RAY DIFFRACTION	99.65

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	2.71443997745	1.60350751979	0.867166572169	6.06120578416	-0.82175718557	2.16182115507	-0.236805378148	0.182207340348	-0.0140569151717	-0.148129738583	0.0874046620891	-0.310652982652	0.15544019789	0.35075845899	0.130070098531	0.0685545408449	0.00575723988218	-0.0177703346441	0.119896494412	-0.010420486629	0.0457834749529	15.0384484928	-35.7231338288	21.3408814434
2	3.12249773834	0.44990945263	0.0479071498637	1.03233871522	-0.236802016417	2.45149778058	-0.0459473161549	0.162810686562	-0.128271748846	-0.00259961825118	0.0380445052375	-0.0837861834171	0.285493551473	0.226270563474	0.00614513552989	0.110647642713	0.0411747214761	0.00104715781514	0.0637890034843	-0.00373698311397	0.085426149317	11.9568025195	-40.663886418	19.5938969484
3	2.46897396069	1.21763761326	0.323404282052	1.31776913051	-0.398559047795	0.482901599824	-0.356170822114	-0.00620914327072	-0.80874646543	-0.137272553493	0.132224065624	-0.0708030835025	0.852784536821	0.0592516519994	0.144506834643	0.345361016157	0.0519732244697	0.0483356673342	0.147282527089	0.0270778723879	0.256552838129	9.42278594649	-46.9389066661	28.3141320473
4	1.43129283676	-0.124740877696	-0.251030414329	0.97497367026	0.269086307962	1.74758139923	-0.0786331835384	-0.14113307368	-0.0816916840481	0.159673712578	0.0325978814316	0.0182477358272	0.191462767311	0.0396148311411	0.020761381698	0.0746096223625	5.52433546583E-5	0.00458743098215	0.0692692226965	0.00189238062286	0.0685338776167	7.27456724143	-33.3837950548	30.1902951673
5	4.05520253904	0.407151039787	0.436105443625	0.911640641549	0.444079426251	2.01120504346	-0.052892779539	0.0604243802132	0.166449029405	0.0247036727457	-0.00203495581059	0.012249823393	-0.0579307127733	0.0288640756557	0.0619637271296	0.0491744755282	-0.000739813914129	0.00541220167496	0.0286741352534	0.00631013836579	0.0663129358517	2.73267734501	-24.4354677533	23.5082949434
6	6.96695970969	1.8471533428	0.378935836879	1.75020630972	0.650288923908	1.23544545986	0.00224242043277	-0.179853457529	0.130969506906	-0.0107985629193	-0.0785297416963	0.0481677187774	-0.01331040543	-0.176406270396	0.0556622825025	0.041516632541	0.00881930398289	0.00655483234032	0.0930401351079	-0.0161481815195	0.0812751089966	-3.75752748774	-23.1708265548	24.5319200714
7	0.62953062168	0.102046664467	-0.036079274776	1.50361000944	0.996374382925	1.99536653502	0.0212929786402	0.0614806307992	-0.0173859997369	-0.105907589925	-0.0337601458197	0.0282250052337	0.0873780552567	-0.173115556962	0.0138519657009	0.0706325235065	-0.0149278488858	-0.00380168426608	0.0693025024099	0.00318517170702	0.06279875229	0.613943895204	-30.2283490384	10.4175452664
8	4.24806658553	1.54870975526	1.0431827191	3.67780656436	0.630289679252	2.20492052356	-0.129818487217	0.042479693784	0.0704468839295	-0.191522809108	0.0334582780665	-0.112012349891	0.0184898036074	0.0936070992861	0.0999496146789	0.0703547070547	0.00628835839632	0.0102433685196	0.0678959606415	0.00108582879578	0.0497775149141	6.41872716108	-34.8206101591	11.2943613331
9	2.15045351633	-0.03765761263	-0.0651267028058	2.48647784539	-0.0322693591171	1.37603373598	-0.039723841814	0.165483893641	0.143891611583	-0.287009646761	-0.0330466010493	0.086009147939	-0.0193727538638	0.0579080672425	0.0311423144847	0.0992063786918	-0.0166519361305	0.016708698741	0.121006216007	0.0262517371001	0.0503649139621	4.18826253377	-27.965871804	7.64357066363
10	1.65721291734	0.341695007296	0.636508131006	5.65437520711	-0.173674490182	3.7908260185	0.0426799952231	0.0772216417194	-0.00465823502023	0.133844722242	-0.0480498227429	0.0890492940635	-0.243786343101	-0.176352214401	0.0301808104811	0.175799659794	0.0279669214926	-0.00372649579311	0.0705949946904	0.0115247784636	0.0953632947888	-3.85075462674	2.98972984576	35.2093628042
11	1.98827910651	-0.258316364401	0.793416164121	4.78473035566	-2.70251357579	3.84073846367	0.0614252961578	0.0199818127921	-0.0676349517119	0.148910508025	-0.301991641416	-0.868561086843	-0.148570349673	0.368715853324	0.292599763347	0.25287147303	-0.00275999290792	-0.0397173248215	0.119636478716	0.0321242534695	0.230536689864	4.01302310931	1.98003520639	41.0299027515
12	0.617300798202	0.297373826964	-0.286023497697	4.17208297943	-0.183704934938	1.45689815601	0.0343021804266	-0.010765516009	0.0554010579966	0.306404553726	-0.047673858675	0.0623763615012	-0.310312131961	-0.205190367315	0.0236790083819	0.158927920651	0.0426831461745	0.0187325207215	0.136357328769	-0.00691061500479	0.086299956777	-8.8065005343	-7.6401362807	44.3580319075
13	0.35262308004	0.509263013846	-0.427868333872	3.71020211601	-0.260756006147	2.53010357648	-0.0356344006103	0.0396283424451	0.0698987779381	0.184992807811	0.124391195532	0.119263407129	-0.0901854401897	-0.291302449551	-0.0583817821476	0.0642695675284	0.00120071151749	0.000923950916598	0.170226747407	-0.0101074223385	0.112884794578	-13.1343019903	-12.5727032368	41.4585639685
14	1.09597153387	0.315030908585	-0.750019702376	1.62496834523	-0.203192717641	0.865753426026	-0.248814717368	0.39289299628	-0.328246617086	-0.687242472339	0.355719964672	0.175643189599	0.167647732609	-0.80614640325	-0.161972151365	0.319561861224	-0.0515891720431	-0.0948011887255	0.534353706163	0.0581252076986	0.184809440271	-14.1404777649	-9.41818625638	24.113119865
15	3.09112970235	1.35588264222	-0.16381581362	2.68121180698	-0.422166078289	0.63180072241	-0.131530783868	0.651920190641	0.271820100699	-0.570672714829	0.432692528996	0.273639528146	-0.351605218787	-0.830388912028	-0.00720888919966	0.22964157438	0.0583515321563	-0.0466821208514	0.416805979617	0.0365201857967	0.128693367104	-13.5422009515	-4.21966149283	28.5030589427
16	3.4520204038	-0.839250452821	0.131608899876	4.2304849387	-0.736253414272	2.07650924236	-0.261617375607	-0.174657757433	0.0616477871825	0.0853620814202	0.17883522505	-0.353089228759	-0.106845934363	0.348022902903	0.138967452587	0.0354031334558	0.00724892258568	0.00422397673128	0.131839624715	-0.0252011161648	0.0812977531574	14.7094300957	-22.577061144	60.8289736663
17	1.65208741547	-0.395006128658	-0.512695779367	1.26635648397	0.318403701395	2.71553857732	-0.0573209521005	-0.00665064247473	0.0935239123436	0.000134822349202	0.0969210813242	-0.126909630868	-0.189763738737	0.197619603565	-0.0297767208689	0.0649284880945	-0.0217567839806	0.000184619322379	0.050667231527	0.00244848903331	0.0841807479068	11.3332931905	-17.7967885655	62.7321363304
18	4.29712295269	0.54041561552	1.62176367661	1.04116272439	-0.417034798156	1.80795993186	-0.648920950592	0.122093829012	1.00548371182	-0.0718805614253	0.241506408797	0.240429578562	-1.17615102182	0.0712229826972	0.208799417105	0.354738930919	-0.0532247660515	-0.0676455043675	0.173968389992	0.0520490771841	0.307699520122	8.17488003418	-11.5747830651	54.2969773105
19	2.1111745489	0.31110326765	0.537025981901	0.740410670965	0.299112346901	1.59543716356	-0.0411524526311	0.135525421638	0.0687750003434	-0.140858419854	0.0391751814951	-0.0104271657068	-0.0910145409308	0.116610434256	0.000139056874799	0.0674771651837	-0.00459229846932	0.00266730867327	0.0620585907919	0.00139916807144	0.0677868040733	6.941919811	-25.1744965428	52.0306382719
20	4.39872269792	-2.73425022815	-0.368122938491	3.62108336596	0.350524468633	3.02950123283	-0.0259864501759	0.212848358065	-0.0314171229594	-0.0601304340445	-0.0107973346004	-0.0149659974217	0.0897255738311	0.181956686268	-0.0049067892792	0.0650663124217	-0.0123880300827	0.0173836510322	0.0729457444621	-0.00590400322341	0.0642383984878	9.07778348309	-33.7055104735	51.5131854244
21	3.81415102364	-0.166325433051	-0.799713155808	1.55564440413	0.151865476452	1.94027357101	-0.0494591784605	-0.165682666942	-0.11261182871	0.080200126628	0.0322203475524	0.126456903262	0.206871080852	-0.146355762989	0.0569276745631	0.0728866816783	-0.00548443032889	0.00321596804113	0.0707832648039	0.00952871547727	0.0608730010144	-1.73474360077	-34.7800599542	64.2801970343
22	7.30809391835	-2.3531087105	-0.353035621205	2.23835326998	0.682273205352	1.44488953883	0.0184572866382	0.0720251515777	-0.0322724979308	0.0364421103153	-0.0567509919995	0.0391536048611	0.14198375602	-0.137487492858	0.0385594367177	0.0529022246683	-0.0167625398757	-0.00213090313637	0.0669427063337	-0.009880390491	0.0681412192278	-3.54304890184	-35.9867239882	57.6208576347
23	0.628352007374	-0.153062917025	0.0450532909961	1.4949868192	0.899188363368	1.96745381518	0.0254876312953	-0.0671017961463	-0.0330194729068	0.162558185366	-0.0578840868447	0.0668318734743	0.124143687285	-0.148354548277	0.0316298397431	0.0597753872232	0.00555442988035	0.0073742855975	0.0618975807451	-0.00215134706556	0.0741910902177	0.534403526802	-28.9172477681	71.7687782132
24	6.96945535005	-2.4721455235	-1.66617521318	2.87252027211	1.13241610758	2.14615552258	-0.117224979817	-0.0538811913937	-0.0883019206671	0.121886158237	0.0289161963756	-0.167918334435	0.0355120944872	0.10741024577	0.0838888463342	0.0463751950723	0.00809010361622	-0.00635033644017	0.0522724746398	-0.00364019354263	0.060056785223	6.11973668008	-24.0356475606	70.9286453461
25	2.61216592229	-0.123725891948	0.108155826034	3.78011375686	-0.199092112239	1.68936453749	-0.00265391324682	-0.0976289723065	-0.118717167888	0.277842227552	-0.0437083200442	-0.0109500847756	0.151027236859	0.0699227882768	0.0261673551739	0.106359595304	0.0116669664948	-0.0284001901263	0.100994017088	0.0161941664943	0.0363991589669	3.80086875713	-30.612112856	74.691235343
26	1.83505055605	-0.424083623229	-0.964923960705	3.7533144687	-1.14819350106	3.23508573772	0.0229146155217	-0.00877250644653	0.0680490323582	-0.185095603526	-0.0584164419831	-0.257104284897	0.0048441469732	0.174404087284	0.0593449283257	0.127412205701	-0.0213980957791	0.0017112814143	0.0630221472326	0.00945323919898	0.111534533866	1.55771955035	-61.3278956494	43.6104242728
27	0.609227919686	-0.480362627199	0.220963570214	4.18948354714	-0.0787791200293	0.930105226352	0.0327900992473	0.0192906929258	-0.0541341164706	-0.347969116538	0.00833545913893	0.154915980919	0.198151443979	-0.142356176683	-0.0213185466115	0.149644354964	-0.0438260601889	-0.0359602918306	0.103654276559	0.00771550789679	0.0891687031807	-7.95195521748	-51.412100683	37.733338434
28	0.966881027189	-0.52982642181	0.186521212212	2.97930557064	-0.635034149611	1.45799926755	-0.0569515343302	-0.210630614766	-0.038033615694	0.265751190303	0.249887495907	0.365559551844	0.0212529704356	-0.264555927952	-0.107110879578	0.117159138002	-0.00639060192938	0.0226044106895	0.174128168454	0.02879005506	0.157131475991	-12.8942185108	-47.8796087989	46.586816697
29	3.43828635589	-0.734645202381	-0.600059779185	3.17449994501	-0.422097308781	0.732192642805	-0.135077419444	-0.461344405184	-0.272872129665	0.677390969728	0.420637600276	0.488311889763	0.176434822239	-0.353035476555	-0.0666430341718	0.212485627423	0.0139714127193	0.0587442323923	0.215337342115	0.0691207227489	0.170855535082	-12.96593192	-55.4969938209	53.3409407141

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 13 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 14 through 34 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 35 through 48 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 49 through 85 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 86 through 122 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 123 through 142 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 143 through 174 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 175 through 190 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 191 through 206 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 1 through 26 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 27 through 57 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 58 through 122 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 123 through 155 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 156 through 174 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 175 through 206 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 1 through 13 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 14 through 34 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 35 through 48 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 49 through 85 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 86 through 101 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 102 through 122 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 123 through 142 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 143 through 174 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 175 through 190 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 191 through 206 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 1 through 57 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 58 through 122 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 123 through 174 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 175 through 206 )

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