PDB-9qyj: Crystal structure of human S-adenosyl-L-homocysteine hydrolase in...

ID or keywords:

Entry

Database: PDB / ID: 9qyj

Title

Crystal structure of human S-adenosyl-L-homocysteine hydrolase in complex with adenosine and cadmium ions.

Components

Adenosylhomocysteinase

Keywords

HYDROLASE / Protein dynamics / human SAHase / metal binding / AHCY

Function / homology

Function and homology information

Defective AHCY causes HMAHCHD / Sulfur amino acid metabolism / Metabolism of ingested SeMet, Sec, MeSec into H2Se / adenosylhomocysteinase / adenosylhomocysteinase activity / L-methionine cycle / Methylation / one-carbon metabolic process / melanosome / endoplasmic reticulum ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.93 Å

Authors

Malecki, P.H. / Imiolczyk, B. / Gawel, M. / Stepniewska, M. / Brzezinski, K.

Funding support

Poland, 1items

Citation

Journal: To Be Published
Title: Crystal structure of human S-adenosyl-L-homocysteine hydrolase in complex with adenosine and cadmium ions.
Authors: Malecki, P.H. / Imiolczyk, B. / Gawel, M. / Stepniewska, M. / Brzezinski, K.

History

Deposition	Apr 18, 2025	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Apr 29, 2026	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9qyj.cif.gz	1.5 MB	Display	PDBx/mmCIF format
PDB format	pdb9qyj.ent.gz	1.1 MB	Display	PDB format
PDBx/mmJSON format	9qyj.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/qy/9qyj ftp://data.pdbj.org/pub/pdb/validation_reports/qy/9qyj	HTTPS FTP

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Related structure data

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	#265 - Jan 2022 Golgi Casein Kinase similarity (1)

Deposited unit

A: Adenosylhomocysteinase

B: Adenosylhomocysteinase

D: Adenosylhomocysteinase

E: Adenosylhomocysteinase

F: Adenosylhomocysteinase

G: Adenosylhomocysteinase

C: Adenosylhomocysteinase

H: Adenosylhomocysteinase

hetero molecules

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

1

A: Adenosylhomocysteinase

B: Adenosylhomocysteinase

D: Adenosylhomocysteinase

E: Adenosylhomocysteinase

hetero molecules

defined by author&software
Evidence: gel filtration
197 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

F: Adenosylhomocysteinase

G: Adenosylhomocysteinase

C: Adenosylhomocysteinase

H: Adenosylhomocysteinase

hetero molecules

defined by author&software
197 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	82.186, 89.710, 124.297
Angle α, β, γ (deg.)	96.435, 89.918, 105.820
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

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Protein , 1 types, 8 molecules ABDEFGCH

#1: Protein	Adenosylhomocysteinase / AdoHcyase / S-adenosyl-L-homocysteine hydrolase Mass: 47640.777 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: AHCY, SAHH / Production host: Escherichia coli (E. coli) / References: UniProt: P23526, adenosylhomocysteinase

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Non-polymers , 5 types, 1452 molecules

#2: Chemical	ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE Mass: 663.425 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₂₁H₂₇N₇O₁₄P₂ / Comment: NAD*YM
#3: Chemical	ChemComp-ADN / ADENOSINE Mass: 267.241 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₁₀H₁₃N₅O₄
#4: Chemical	... ChemComp-CD / CADMIUM ION Mass: 112.411 Da / Num. of mol.: 45 / Source method: obtained synthetically / Formula: Cd
#5: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: K
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1383 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	N
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: 2.3 Å³/Da / Density % sol: 46.47 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion / Details: Morpheus D4

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P13 (MX1) / Wavelength: 1.5 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 8, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5 Å / Relative weight: 1
Reflection	Resolution: 1.93→85.7 Å / Num. obs: 135530 / % possible obs: 85.9 % / Redundancy: 2.8 % / B_iso Wilson estimate: 24.65 Å² / CC_1/2: 0.99 / R_merge(I) obs: 0.13 / Net I/σ(I): 6
Reflection shell	Resolution: 1.93→2.256 Å / Num. unique obs: 6777 / CC_1/2: 0.527

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Processing

Software

Name	Version	Classification
PHENIX	1.21.2_5419+SVN	refinement
XDS		data reduction
XDS		data scaling
REFMAC		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.93→74.59 Å / SU ML: 0.256 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 29.979
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2441	1361	1 %
R_work	0.1758	134152	-
obs	0.1765	135513	53.12 %

Solvent computation

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

Displacement parameters

B_iso mean: 34.26 Å²

Refinement step

Cycle: LAST / Resolution: 1.93→74.59 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	26608	0	557	1383	28548

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0077	27728
X-RAY DIFFRACTION	f_angle_d	0.9706	37636
X-RAY DIFFRACTION	f_chiral_restr	0.0545	4244
X-RAY DIFFRACTION	f_plane_restr	0.0074	5064
X-RAY DIFFRACTION	f_dihedral_angle_d	14.7292	10276

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 (%)
1.93-2	0.1784	1	0.2801	114	X-RAY DIFFRACTION	0.45
2-2.08	0.2629	5	0.2771	386	X-RAY DIFFRACTION	1.54
2.08-2.17	0.2602	22	0.2722	2235	X-RAY DIFFRACTION	8.86
2.17-2.29	0.3664	64	0.2636	5962	X-RAY DIFFRACTION	23.57
2.29-2.43	0.27	104	0.2656	11071	X-RAY DIFFRACTION	43.9
2.43-2.62	0.2952	203	0.2457	17443	X-RAY DIFFRACTION	69.22
2.62-2.88	0.3035	240	0.2248	23517	X-RAY DIFFRACTION	93.05
2.88-3.3	0.2629	250	0.1892	24315	X-RAY DIFFRACTION	96.31
3.3-4.16	0.2257	214	0.142	24542	X-RAY DIFFRACTION	97.01
4.16-74.59	0.1955	258	0.1369	24567	X-RAY DIFFRACTION	97.35

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	2.0959808077	0.258744411625	-0.319920543153	2.48904867364	0.268515549776	2.16497623409	0.0793560075372	0.0598708415257	0.304699866043	-0.218229590704	0.00815837962364	-0.442137065072	-0.319167469157	0.29275429982	-0.0734752885865	0.233278506628	-0.0514541648146	0.108161537623	0.238245232745	0.0201686191288	0.290722680197	23.9904614842	27.363540848	-46.6397892485
2	0.631886179072	-0.376869424416	0.141886337215	0.517006493454	-0.588620073425	1.21221068556	0.116569905585	-0.142334080776	0.435089217235	0.192737162484	-0.0619920914289	-0.235877766917	-0.38917200439	0.159380085297	-0.0388101919525	0.242057764584	-0.0789791558542	0.0695934139369	0.205773964236	-0.0413451791037	0.344684290439	16.0782229117	27.9751379418	-32.6591638831
3	2.7471265748	-0.838218672294	-0.457270732425	1.76642618015	-0.0361824641003	1.19811643648	0.00459514937883	-0.293157436696	0.160813534264	0.0891613623649	0.0526256008695	-0.279620583244	-0.0565763990235	0.460478147427	-0.0435346953925	0.126703247591	-0.0255047006541	-0.0158278647265	0.333096908266	-0.0318821664222	0.121397589032	21.1388101674	8.40919046251	-21.1380741798
4	1.30429236634	0.191300085312	-0.431265873061	0.880762142205	-0.41752952783	1.36897431891	0.115256826662	-0.0169902021168	0.443919348908	-0.0135823550754	0.0658591359223	0.0451368117216	-0.324987017907	-0.0611573105061	-0.166792239588	0.218201961094	-0.000519395625655	0.0657787341566	0.145646518421	-0.00554481933239	0.233436091954	2.10270890767	28.0751043353	-39.6095153987
5	2.34765100612	-0.493500560699	-0.323649129291	2.02691137473	-0.0834396009297	1.86459440249	0.0665221550563	-0.176913501148	0.3025360293	0.283757827575	0.0994732641527	0.346949267694	-0.334609725919	-0.192587245117	-0.140945514655	0.306725364237	0.0642641043342	0.15780272403	0.197665174609	0.00396461306655	0.296963248899	-23.2654134501	22.7547739937	-6.01185786618
6	1.15901688993	0.23582407035	-0.614218352238	0.448027702996	0.206480797677	1.27935411252	0.0623802627214	-0.00208998699046	0.255051663981	0.0972824954081	0.12199418043	0.189039460542	-0.279555028136	-0.074195939254	-0.156686572271	0.179234994312	0.0578775060628	0.0499259902407	0.157083785567	0.038641845202	0.21263689362	-12.941466923	20.1034488051	-25.249119543
7	2.75127050388	0.104696796352	0.21662378533	1.30403794903	-0.416492655312	1.84904375235	0.0479745288907	0.225822187875	0.150494683709	-0.0504721944192	0.105762349174	0.372096369315	-0.144648976731	-0.5802000098	-0.121890942233	0.126136669565	0.021034924676	-0.00511512049504	0.241237496078	0.0598034853173	0.241141353998	-25.5960127271	10.8081863872	-34.1498576755
8	1.81357390524	-0.480430403253	-0.666292592494	0.910759534986	0.13773152941	1.20740122999	0.165311382464	-0.158203909025	0.532483139374	0.214295571264	-0.00416139725807	-0.10030906625	-0.359888155303	0.240307210554	-0.154055997354	0.286581791282	-0.0533452351647	0.0607956107988	0.207130816977	-0.0574589732008	0.274853634667	1.37582882102	26.5440402653	-11.7541823722
9	2.02956020347	-0.408108055151	-0.534771630637	1.25048632364	0.452393792423	0.239459192168	-0.0798186333786	-0.210412086062	-0.273520648515	-0.427151957444	-0.20576653467	-0.483774446731	0.415972611187	1.12704898006	0.195347231317	0.378284561277	0.217825184697	0.13395757334	0.548603574323	0.0681689126332	0.396647738283	35.3580984621	-10.0664153307	-40.0892894011
10	2.85671032885	-1.94900574159	-0.421693250512	3.22043177684	1.21106769358	0.523421384462	-0.0270868628979	-0.313980400764	-0.245261957813	-0.0510008664026	-0.0166816991707	-0.130819629119	0.743454011232	0.580939001085	0.0163333869096	0.497502384912	0.263767315913	0.108588555744	0.427305338884	0.0980361108626	0.45015368953	27.8408398448	-22.8631985055	-31.7401984167
11	1.72730629284	-1.02276426642	0.523705691437	2.05988928733	-0.190739080723	0.141308292796	0.117964393454	0.324915721142	-0.223245264061	-0.503069290388	-0.214384084421	-0.182394145342	0.584018094854	0.862676432236	0.0743812046522	0.431783625439	0.212894801125	0.148288865565	0.533289979696	-0.00895242858001	0.345773913047	30.136685826	-15.4902903212	-42.9641414312
12	1.36480963864	0.112876066584	-0.960707080481	2.03343387898	0.332982210846	1.11405136708	-0.334334609839	0.323049961233	-0.225194685264	-0.679513290469	0.172020947118	-0.0729749053501	0.761834627548	0.388553260365	0.0951864963404	0.900993551477	0.266727910577	0.156428787608	0.408776020236	-0.121029295044	0.507165175807	21.7978154149	-27.2551347408	-49.3052256559
13	1.00619715574	0.0613863006653	-0.0190443781715	1.03042884677	-0.155899868664	0.272299490407	0.04482741211	0.112223540421	-0.434907876057	-0.171150421757	-0.180496825837	-0.0598727566832	0.462109919752	0.24598176644	0.0773542816727	0.392142764872	0.0973020811852	0.0348800610645	0.150469560246	-0.0455108349799	0.318318352716	12.3138243585	-14.0747611936	-38.9389552606
14	1.31876698011	2.55853901205	0.493738759096	8.83613526746	0.0224575116387	2.13791284142	0.0258042071266	-0.0920674399605	0.136640208935	0.301702624629	0.0813155885737	0.181575103957	-0.0281137711591	0.218638376363	-0.0884907304386	0.136224923468	-0.0193459117578	0.0126287570475	0.156067675689	-0.0496960607799	0.121185644029	4.14972013703	-0.0217278348918	-40.9562890204
15	3.05361409742	1.08232727231	-0.307655716117	2.64214904406	0.119157957831	2.33077341551	0.0210618252143	0.349267495073	-0.0184654294589	-0.338022767352	-0.0469390301361	0.223383586024	0.286422861223	-0.103033157612	0.0187980465813	0.18831793303	0.00699917237267	-0.026727102025	0.176706419917	-0.0222371155049	0.111161054655	-2.89748555364	-5.09986755936	-46.960201412
16	2.98294716496	0.537035972128	0.70622878763	1.04820153852	-0.19526253283	4.42267624961	-0.0125654073107	0.679158224087	-0.226977408224	-0.379842189561	0.0635409465383	-0.12680634545	0.520446295307	0.152674522254	-0.0431134502344	0.277125332696	0.00609700596116	0.0414451177813	0.272349796315	-0.0394738775974	0.178710664587	10.9719776119	-0.855678294476	-56.7062270276
17	2.28425913021	-0.501586984946	0.114906446293	0.12012538462	-0.0971010854256	0.493370056417	-0.115514943923	0.0845140720408	-0.568494549446	-0.0265583128047	0.0416506172255	0.0887119130926	0.788426202154	0.328680813785	0.0617783139575	0.555453485266	0.176183925331	0.0555077495544	0.281605561797	-0.00750509529537	0.410734512999	17.0656082828	-25.9939175383	-30.8410394078
18	1.13321279871	0.0198463552474	-0.376385561198	1.14700453886	-0.738725541092	1.66740754019	-0.25368188524	-0.2730199159	-0.647699028863	0.0315089548315	0.0323501977481	-0.247935894662	0.786719097785	0.0313798674085	0.110187457919	0.42464976594	0.186048361955	0.0590531345332	0.0999526402092	0.0102364647491	0.368069677345	5.0503542464	-21.9547440874	-16.0252406888
19	1.72154895723	-0.504605560103	-0.340325692031	2.02774979198	-0.166319693568	1.16835000929	-0.0870163403595	-0.00856078795153	-0.527470218946	0.0719516945741	0.155716094716	0.485403556115	0.408118869669	-0.273586310544	-0.048363889076	0.316169228852	-0.117185398271	-0.0287885175294	0.232463542829	0.0617323613362	0.489107251677	-27.4911283967	-22.6271385202	-21.0787552419
20	1.15296904849	0.314848388837	-0.30402045607	2.17774428518	0.694863753436	1.56457213863	-0.026604750183	-0.0703441539781	-0.257625140927	-0.204227719576	0.0202000692348	0.16957484767	0.112425193813	-0.152731015971	-0.00640072088058	0.149853124718	0.0173115763793	-0.00194975005334	0.14217650423	0.0485485203544	0.227076389171	-8.80948365419	-10.9443160382	-21.2276221871
21	1.82835760532	-0.2781269141	-0.44453063844	1.39835264587	-0.410328491766	2.81149703728	-0.120161534161	-0.308452866725	-0.247962254446	0.184454792793	0.0618727593193	0.177287896117	0.229701495102	0.026180221509	0.0515764035625	0.166822394775	0.0214159842022	0.0379999134865	0.136133386057	0.0379607754724	0.171329192499	-5.34162134598	-8.0751564305	-7.13438407295
22	1.29150355062	0.151697405337	-0.585259995914	0.340552417171	-0.633975069556	0.823509932499	-0.163990477518	0.24266245045	-0.413490308531	-0.368300548237	0.102030479691	0.204892418467	0.664761743676	-0.213371613415	0.0503348674888	0.515988114404	-0.111330910689	-0.0552429934275	0.229591078341	-0.0704942431105	0.388377445776	-11.9532396946	-22.0947581843	-39.9897723635
23	1.96581848291	0.652899415912	0.522278606404	1.87929085555	0.186672083981	2.87386261987	0.131263532466	0.162343760166	-0.179320096066	-0.317289963212	-0.0500558431955	0.274463869349	0.212333514442	0.00752182043586	-0.0706161464289	0.267110707643	0.0202749157604	-0.137153539665	0.23002201169	-0.0242147437126	0.26401910828	19.6991730451	1.9278931532	-114.693243352
24	4.22759793808	0.0395311470521	0.392109127539	2.86708087341	-0.0952487080794	2.00171640421	0.399582203673	-0.275508115985	-0.797255177533	0.0451927316729	0.0821841282113	0.516519875253	0.680901044938	-0.344324652202	-0.432767547849	0.448035306148	-0.0829913171055	-0.174944794024	0.276911870269	0.0897820065699	0.493548262787	16.266785423	-11.5961508061	-104.301222352
25	1.09268253597	-0.744596355897	0.134907239773	1.89314739463	1.36866098716	1.89965529111	0.0936038196576	-0.202509476799	-0.108793919883	-0.145239668994	0.0816256829956	0.0339296621898	0.0879208694681	-0.00691588753923	-0.174591427446	0.182808870133	-0.0248139951121	-0.027911220916	0.349693318727	0.0545615132114	0.136379987674	28.6370981226	6.81361853572	-94.1831470966
26	1.99884321505	-0.49660112734	-0.22044835879	1.48986656954	-0.344809539476	0.761640105785	-0.00819235269175	-0.473942649865	-0.271691302689	0.101102850432	0.162488691234	0.372505949196	0.12429061439	-0.45792033235	-0.120419919374	0.161004354773	-0.0408127634603	0.0060670038095	0.521666833079	0.103924892487	0.246919642642	18.4318530144	10.3654633591	-84.0273696423
27	2.74055420562	0.499974461226	0.658074084302	2.60928393226	-1.3140827987	2.08283069075	0.311672626515	-0.160912526064	-0.661823312939	-0.282556021055	-0.110682839152	-0.187205951573	0.613776998066	0.279246104687	-0.177496000672	0.350645139838	0.099566199487	-0.13081465125	0.368092120909	-0.0229068972698	0.300924442284	34.7578596014	-6.46073040241	-108.811500622
28	4.38202586995	0.66016480522	-0.672065795371	2.09005225567	-1.17742191385	1.74254220538	0.149910301849	0.410195927449	-0.543753028144	-0.25389273821	-0.164025650945	-0.249143222264	0.36463659459	0.541707254108	0.0052974321758	0.280111701369	0.11307910173	-0.0871610809902	0.50573903595	-0.086797489487	0.2446572067	53.6321080874	-3.05339165357	-104.024430961
29	3.28231606774	-0.113716937126	-0.163527872482	3.17296119196	0.299603832649	1.96055950647	-0.0773830818291	-0.0628078349101	0.53573425263	-0.131607597145	-0.0613599354121	0.383414361893	-0.363391474347	-0.382041383923	0.11227190745	0.225511825296	0.0985367398583	-0.023550400168	0.31014484205	0.0033919788408	0.376926055524	9.97922540099	38.8448717567	-95.0656916356
30	3.83287017385	-0.381301957811	2.26990369076	2.24885425902	-0.46631314805	3.95448972943	-0.317561124695	0.148506839445	0.897506998914	-0.173529728808	-0.00871373364141	0.198932734449	-0.88648824462	0.0801043355648	0.289711020068	0.483730720534	-0.00532313190004	-0.0314085195497	0.275168719751	-0.012170089382	0.511887556223	20.6114247366	51.4932715228	-100.562826398
31	1.84021609961	0.506579322082	0.758196968943	1.59833190955	0.427523844568	2.0833632392	-0.0142889595776	0.264559816486	0.0820243219936	-0.180056017891	-0.00813217429066	0.0581938809332	-0.184360284798	0.0544087177404	0.0189242672628	0.147390029773	-0.00855787395506	-0.00583023593018	0.279077147728	0.0408383780259	0.133999222627	34.89616262	28.413325113	-108.710260128
32	2.4948987086	-0.181832355277	2.04897799064	1.1182574742	-0.659768594449	3.18044486189	-0.342849977506	-0.285767486514	0.591279822079	0.347930761262	0.15042732471	0.144766133733	-0.823168056225	-0.227317177137	0.194373549213	0.387643806593	0.0444705760287	-0.0144218855396	0.326227530543	-0.104488992623	0.387214818294	28.5339782058	44.1739024892	-79.3576845207
33	2.82572517163	0.273990497534	0.908412278292	1.91727256217	0.345671922198	2.08922765334	0.26541242962	-0.182833052218	-0.552313453728	0.221576419362	-0.0277226001562	-0.384589105274	0.413175818079	0.307345563909	-0.217732311443	0.382149005139	0.0899978784523	-0.172913536244	0.418345034869	0.00973812698229	0.342298744168	64.8869451662	-5.30985338018	-72.0450736205
34	0.999004115524	0.40014040528	-0.0901505846879	1.56576978101	-0.526225573995	1.63319205774	0.200815777455	0.22802507472	-0.424697953663	0.00393793470243	-0.0836046978895	-0.278480854552	0.490343269504	0.299768729591	-0.107188996808	0.314409263438	0.102654432745	-0.140655568378	0.41868365151	-0.0507286522379	0.325315072487	57.1355499851	-6.28021277188	-85.892184218
35	1.84224331498	0.527010748703	0.771432074246	0.972255753129	0.493386929423	1.63971987622	0.0709826932685	0.342139176351	-0.121796589378	-0.0839704704283	-0.00513189847033	-0.197826951619	0.0406652376921	0.573344812027	-0.0464894205066	0.138913045925	0.00574878976947	0.0432378414496	0.683129928376	0.00629150418486	0.172954069813	62.0396417374	13.1542425642	-97.7728603898
36	3.82645258318	-0.119962739317	0.532693558689	0.985130358787	0.0326000261242	1.69586911456	0.130759620334	-0.207719742727	-0.7147529848	0.0922470917172	0.103713283716	0.122487840884	0.49130536576	-0.120991693832	-0.229871361431	0.324887912389	-0.026698347984	-0.0782428791765	0.299251852546	0.0634883858447	0.27273774039	43.1802686529	-6.30201351223	-78.9475253556
37	2.11257513401	-0.351790343584	-0.663303711253	2.01129266247	0.0593149137288	1.76438092595	-0.206905978357	0.312178258952	0.789122376602	0.0130931244869	0.0111672371947	-0.490978076755	-0.42538296907	0.699389741161	0.187510845109	0.399941050447	-0.245450908771	-0.0863320595963	0.794041410599	0.0745391872809	0.567881826604	72.0328295246	38.6402018967	-84.2929184092
38	3.15249933484	-1.55344908775	1.3008701582	2.35661968408	0.457985829965	2.1643772166	-0.137827603354	-0.510534925358	0.62912159207	0.449578374814	0.0188212865359	-0.430019601851	-0.624385944453	0.43693353915	0.0962761513317	0.574588385526	-0.243317767188	-0.0514859592358	0.640554123773	-0.0201152197626	0.463689264728	65.104457683	45.1181104079	-73.2700988425
39	1.35800332445	-0.969851625533	1.22532900131	1.83555536516	-0.650135443339	2.01786168097	-0.0789255809658	-0.232012560536	0.109868863134	0.277033717364	-0.00313718723547	-0.152927088846	-0.204872403504	0.221871432296	0.0775145963201	0.219460626785	-0.0390524203709	-0.00545850614661	0.416827596613	-0.0231429736195	0.141569534408	47.3239645308	24.7444646237	-70.0814736766
40	3.23239945608	-0.421635916112	0.727115498502	1.13238352931	-0.456785521628	1.57428717669	-0.148229542845	-0.087270845477	0.588570516977	0.146796546734	-0.0324190147189	-0.356708800945	-0.676262340277	0.487989383702	0.173511706882	0.400779255272	-0.162445366644	-0.0425705056114	0.397961641413	0.0147582835664	0.398363649059	52.7051420826	45.9962964579	-94.9466340139

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 3 through 142 )	A	A	3 - 142	1 - 140
2	2	chain 'A' and (resid 143 through 207 )	A	A	143 - 207	141 - 205
3	3	chain 'A' and (resid 208 through 342 )	A	A	208 - 342	206 - 340
4	4	chain 'A' and (resid 343 through 432 )	A	A	343 - 432	341 - 430
5	5	chain 'B' and (resid 3 through 142 )	B	D	3 - 142	1 - 140
6	6	chain 'B' and (resid 143 through 255 )	B	D	143 - 255	141 - 253
7	7	chain 'B' and (resid 256 through 354 )	B	D	256 - 354	254 - 352
8	8	chain 'B' and (resid 355 through 432 )	B	D	355 - 432	353 - 430
9	9	chain 'D' and (resid 3 through 28 )	D	G	3 - 28	1 - 26
10	10	chain 'D' and (resid 29 through 57 )	D	G	29 - 57	27 - 55
11	11	chain 'D' and (resid 58 through 106 )	D	G	58 - 106	56 - 104
12	12	chain 'D' and (resid 107 through 170 )	D	G	107 - 170	105 - 168
13	13	chain 'D' and (resid 171 through 207 )	D	G	171 - 207	169 - 205
14	14	chain 'D' and (resid 208 through 235 )	D	G	208 - 235	206 - 233
15	15	chain 'D' and (resid 236 through 283 )	D	G	236 - 283	234 - 281
16	16	chain 'D' and (resid 284 through 354 )	D	G	284 - 354	282 - 352
17	17	chain 'D' and (resid 355 through 399 )	D	G	355 - 399	353 - 397
18	18	chain 'D' and (resid 400 through 432 )	D	G	400 - 432	398 - 430
19	19	chain 'E' and (resid 3 through 169 )	E	J	3 - 169	1 - 167
20	20	chain 'E' and (resid 170 through 235 )	E	J	170 - 235	168 - 233
21	21	chain 'E' and (resid 236 through 354 )	E	J	236 - 354	234 - 352
22	22	chain 'E' and (resid 355 through 432 )	E	J	355 - 432	353 - 430
23	23	chain 'F' and (resid 4 through 106 )	F	M	4 - 106	1 - 103
24	24	chain 'F' and (resid 107 through 169 )	F	M	107 - 169	104 - 166
25	25	chain 'F' and (resid 170 through 235 )	F	M	170 - 235	167 - 232
26	26	chain 'F' and (resid 236 through 354 )	F	M	236 - 354	233 - 351
27	27	chain 'F' and (resid 355 through 402 )	F	M	355 - 402	352 - 399
28	28	chain 'F' and (resid 403 through 432 )	F	M	403 - 432	400 - 429
29	29	chain 'G' and (resid 4 through 106 )	G	P	4 - 106	1 - 103
30	30	chain 'G' and (resid 107 through 189 )	G	P	107 - 189	104 - 186
31	31	chain 'G' and (resid 190 through 354 )	G	P	190 - 354	187 - 351
32	32	chain 'G' and (resid 355 through 432 )	G	P	355 - 432	352 - 429
33	33	chain 'C' and (resid 4 through 142 )	C	U	4 - 142	1 - 139
34	34	chain 'C' and (resid 143 through 207 )	C	U	143 - 207	140 - 204
35	35	chain 'C' and (resid 208 through 342 )	C	U	208 - 342	205 - 339
36	36	chain 'C' and (resid 343 through 432 )	C	U	343 - 432	340 - 429
37	37	chain 'H' and (resid 4 through 57 )	H	X	4 - 57	1 - 54
38	38	chain 'H' and (resid 58 through 183 )	H	X	58 - 183	55 - 180
39	39	chain 'H' and (resid 184 through 354 )	H	X	184 - 354	181 - 351
40	40	chain 'H' and (resid 355 through 432 )	H	X	355 - 432	352 - 429

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