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Yorodumi

- PDB-7mtu: Crystal Structure of the Catalytic Domain of the Inosine Monophos... -

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Open data

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Basic information

Entry

Database: PDB / ID: 7mtu

Title

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221

Components

Inosine-5'-monophosphate dehydrogenase

Keywords

OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / IMPDH /

TIM barrel / delta CBS /

Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID /

OXIDOREDUCTASE / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

Function / homology

Function and homology information

IMP dehydrogenase activity /

IMP dehydrogenase / GMP biosynthetic process /

nucleotide binding /

metal ion binding
Similarity search - Function

Biological species

Bacillus anthracis (anthrax bacterium)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.34 Å

Authors

Kim, Y. / Maltseva, N. / Makowska-Grzyska, M. / Gu, M. / Gollapalli, D. / Hedstrom, L. / Anderson, W.F. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221
Authors: Kim, Y. / Maltseva, N. / Makowska-Grzyska, M. / Gu, M. / Gollapalli, D. / Hedstrom, L. / Anderson, W.F. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

History

Deposition	May 13, 2021	Deposition site: RCSB / Processing site: RCSB
Supersession	Jun 9, 2021	ID: 5UUW
Revision 1.0	Jun 9, 2021	Provider: repository / Type: Initial release
Revision 1.1	Oct 18, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / refine_hist Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _refine_hist.d_res_high

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	7mtu.cif.gz	1.2 MB	Display	PDBx/mmCIF format
PDB format	pdb7mtu.ent.gz	868.9 KB	Display	PDB format
PDBx/mmJSON format	7mtu.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/mt/7mtu ftp://data.pdbj.org/pub/pdb/validation_reports/mt/7mtu	HTTPS FTP

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Related structure data

Related structure data	4mjmS 3tsb 3tsd 3usb 4my9 4mya 4qm1 5urs 5uuv 5uuz 7mtx S: Starting model for refinement
Similar structure data	4myx-1 4my1-2 7mtx-1 5urs-1 6mgu-2 7mtu-2 5urs-2 5uzs-d 7mtx-2 4fo4-2 6mgu-1 4zqr-d 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
Other databases	TargetTrack: CSGID-IDP01178

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#140 - Aug 2011 Rhomboid Protease GlpG similarity (4)

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Assembly

Deposited unit

A: Inosine-5'-monophosphate dehydrogenase

B: Inosine-5'-monophosphate dehydrogenase

C: Inosine-5'-monophosphate dehydrogenase

D: Inosine-5'-monophosphate dehydrogenase

E: Inosine-5'-monophosphate dehydrogenase

F: Inosine-5'-monophosphate dehydrogenase

G: Inosine-5'-monophosphate dehydrogenase

H: Inosine-5'-monophosphate dehydrogenase

hetero molecules

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

A: Inosine-5'-monophosphate dehydrogenase

B: Inosine-5'-monophosphate dehydrogenase

C: Inosine-5'-monophosphate dehydrogenase

D: Inosine-5'-monophosphate dehydrogenase

hetero molecules

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

E: Inosine-5'-monophosphate dehydrogenase

F: Inosine-5'-monophosphate dehydrogenase

G: Inosine-5'-monophosphate dehydrogenase

H: Inosine-5'-monophosphate dehydrogenase

hetero molecules

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

Unit cell

Length a, b, c (Å)	83.270, 89.334, 104.334
Angle α, β, γ (deg.)	98.891, 90.402, 96.011
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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Components

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein	Inosine-5'-monophosphate dehydrogenase / IMP dehydrogenase / IMPD / IMPDH Mass: 40709.574 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus anthracis (anthrax bacterium) Gene: guaB, BA_0008, A9486_01210, ABW01_29210, BVG01_30935, COL95_27530 Plasmid: pMCSG7 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): gold / References: UniProt: A0A6H3A7R4, IMP dehydrogenase

#1: Protein

Inosine-5'-monophosphate dehydrogenase / IMP dehydrogenase / IMPD / IMPDH

Mass: 40709.574 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Bacillus anthracis (anthrax bacterium)
Gene: guaB, BA_0008, A9486_01210, ABW01_29210, BVG01_30935, COL95_27530
Plasmid: pMCSG7 / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): gold / References: UniProt: A0A6H3A7R4,

IMP dehydrogenase

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Non-polymers , 6 types, 569 molecules

#2: Chemical	ChemComp-IMP / INOSINIC ACID / Inosinic acid Mass: 348.206 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₁₀H₁₃N₄O₈P
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-ZO7 / N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine Mass: 475.965 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₂₄H₃₀ClN₃O₅ / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: K
#6: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂
#7: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 537 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y

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Experimental details

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.34 Å³/Da / Density % sol: 47.46 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.2 Details: 10 % (W/V) PEG-3000, SODIUM/POTASSIUM PHOSPHATE PH 6.2

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97918 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: May 17, 2014
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97918 Å / Relative weight: 1
Reflection	Resolution: 2.34→50 Å / Num. obs: 118528 / % possible obs: 95.6 % / Redundancy: 2.3 % / B_iso Wilson estimate: 32.72 Å² / R_merge(I) obs: 0.1 / Net I/σ(I): 6.95
Reflection shell	Resolution: 2.34→2.39 Å / Redundancy: 1.7 % / R_merge(I) obs: 0.757 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 5009 / % possible all: 80.9

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Processing

Software

Name	Version	Classification
PHENIX	1.19_4092	refinement
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDBID 4MJM

4mjm

Resolution: 2.34→41.68 Å / SU ML: 0.3243 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 31.9298
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2745	4635	4.92 %
R_work	0.2312	89643	-
obs	0.2333	94278	75.89 %

Solvent computation

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

Displacement parameters

B_iso mean: 41.25 Å²

Refinement step

Cycle: LAST / Resolution: 2.34→41.68 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	20488	0	497	537	21522

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0016	21332
X-RAY DIFFRACTION	f_angle_d	0.5037	28892
X-RAY DIFFRACTION	f_chiral_restr	0.0414	3374
X-RAY DIFFRACTION	f_plane_restr	0.0032	3687
X-RAY DIFFRACTION	f_dihedral_angle_d	13.4838	7803

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 (%)
2.34-2.37	0.2757	42	0.2904	658	X-RAY DIFFRACTION	16.95
2.37-2.4	0.4255	35	0.2935	921	X-RAY DIFFRACTION	23.4
2.4-2.43	0.3956	59	0.2836	1123	X-RAY DIFFRACTION	28.2
2.43-2.46	0.3407	62	0.2809	1233	X-RAY DIFFRACTION	31.2
2.46-2.49	0.2975	75	0.2926	1408	X-RAY DIFFRACTION	35.82
2.49-2.52	0.3343	73	0.2983	1550	X-RAY DIFFRACTION	39.11
2.52-2.56	0.3104	91	0.2882	1802	X-RAY DIFFRACTION	45.92
2.56-2.6	0.3418	114	0.2816	1985	X-RAY DIFFRACTION	50.71
2.6-2.64	0.306	120	0.2864	2293	X-RAY DIFFRACTION	58.48
2.64-2.68	0.312	142	0.2881	2597	X-RAY DIFFRACTION	65.56
2.68-2.73	0.3557	131	0.2915	2933	X-RAY DIFFRACTION	74.68
2.73-2.78	0.3433	157	0.2846	3271	X-RAY DIFFRACTION	82.32
2.78-2.83	0.3054	181	0.2845	3532	X-RAY DIFFRACTION	90.34
2.83-2.89	0.3293	186	0.2733	3783	X-RAY DIFFRACTION	94.61
2.89-2.95	0.3204	211	0.2723	3735	X-RAY DIFFRACTION	96.31
2.95-3.02	0.3118	223	0.2668	3796	X-RAY DIFFRACTION	96.98
3.02-3.09	0.3418	193	0.2671	3864	X-RAY DIFFRACTION	97.24
3.1-3.18	0.3022	206	0.2661	3824	X-RAY DIFFRACTION	97.39
3.18-3.27	0.3112	165	0.2561	3859	X-RAY DIFFRACTION	97.76
3.27-3.38	0.3184	199	0.2528	3830	X-RAY DIFFRACTION	97.58
3.38-3.5	0.2889	193	0.2379	3862	X-RAY DIFFRACTION	97.31
3.5-3.64	0.2681	216	0.2304	3791	X-RAY DIFFRACTION	96.95
3.64-3.8	0.2799	198	0.2138	3836	X-RAY DIFFRACTION	97.39
3.8-4	0.2379	192	0.2001	3832	X-RAY DIFFRACTION	96.61
4-4.25	0.2181	195	0.1864	3766	X-RAY DIFFRACTION	96.33
4.25-4.58	0.2095	204	0.1838	3784	X-RAY DIFFRACTION	95.8
4.58-5.04	0.2209	189	0.1817	3746	X-RAY DIFFRACTION	95.58
5.04-5.77	0.2655	204	0.2051	3771	X-RAY DIFFRACTION	95.6
5.77-7.26	0.2526	190	0.2182	3730	X-RAY DIFFRACTION	95.15
7.27-41.68	0.2368	189	0.2099	3528	X-RAY DIFFRACTION	89.48

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	1.08799634535	-0.615100407699	0.102631089215	1.3431557592	-0.0821350656774	0.844389709123	-0.131504912623	0.181940300639	-0.0689164391966	-0.213471360541	-0.0229286319103	-0.048850951874	-0.212489063234	-0.0348954019697	-0.00887560558906	0.166391559591	-0.037660502076	0.0157367616373	0.224229657381	0.0272447537077	0.150340330732	-6.18691407313	-2.89355535888	-15.5365685836
2	0.609204483559	-0.391992238856	-0.0550929916887	0.886475664414	0.100383713417	0.735116278343	-0.14517370491	0.0273147797529	-0.121328942904	-0.0692018906681	-0.00416486505109	0.481080648651	0.101888191353	-0.45501304464	0.0114004081224	0.173559712319	-0.0926045547683	-0.122624572677	0.459031431264	-0.0351925027868	0.307433997578	-35.3725954909	-14.8408771212	-10.7685583975
3	1.09598589603	0.198723469653	0.102593863849	0.618672364999	-0.179835784073	0.0791793376244	0.100416515663	0.187256535654	-0.379238731669	-0.248761071135	-0.139744451877	0.0196478410035	0.338591097485	-0.248207221769	0.107669262345	0.247062519224	-0.0899125172083	-0.0361282275634	0.307429227382	-0.0430520966032	0.265386766759	-23.7492803994	-21.6044096933	-20.5182699045
4	0.50099854845	-0.186866653869	0.00789020769998	0.419096663187	-0.210668862713	0.190925988709	-0.109379683324	-0.055010564514	-0.0514304155636	-0.0594826359214	-0.0867651949927	0.0587754554883	0.0369336719957	-0.199053266486	0.0783213564308	0.18526232395	-0.0324376646798	-0.0562955785392	0.208330531	-0.00212182007054	0.129777557742	-17.9516239249	-8.85776233827	-12.5748511142
5	2.01567438367	-0.958018780012	-0.648037703923	1.81755113238	0.135488238852	0.962683852841	-0.253822462715	-0.23571254944	-0.112846077944	0.371601414335	-0.119353242465	-0.0603824542888	0.234851420993	-0.306990220703	0.221123401094	0.245445093414	-0.00323452764538	-0.0152872569166	0.377465366891	-0.0246411004685	0.247240827427	-25.5149520971	-14.9193242546	7.37368091661
6	0.97267322488	0.552630320048	-0.400083042498	1.17825635922	-0.496444150805	1.05525769218	0.124629739906	-0.00748154985142	-0.0240728914218	-0.0636178941355	-0.193068640983	0.213178991994	-0.249051660784	-0.226538401005	0.14107066136	0.186667607241	-0.0189302493312	-0.0708076138048	0.281217470667	-0.00294064597337	0.189581287458	-28.7728689541	5.26919663545	-6.77230740204
7	1.08519593596	-0.0861630662117	0.196500952538	0.802694821555	0.39748413274	1.34344807976	0.0833461825262	-0.0240353474115	-0.286054829807	-0.121955311656	0.070653327251	0.177590893856	-0.113495823481	-0.0496431705696	-0.0778393173591	0.295344130309	-0.0122928503608	-0.10681323866	0.131931331107	5.72695140527E-5	0.14339236352	-16.4344731122	7.17117767194	-6.07928844146
8	0.637529252624	-0.00704956557859	-0.135243932298	0.489867145814	-0.0773565515972	0.435554152847	-0.0622284287784	0.0344989313246	0.172573451544	-0.231329151552	-0.0383603841942	-0.0655489170027	-0.169923355378	-0.0193248088009	0.0578411925413	0.356242425144	-0.0590767675784	0.0101814153076	0.176451667286	0.109057774232	0.273622707903	-2.84313487608	23.2210094936	-5.35776223653
9	0.255229379791	0.00656298003661	-0.080867872766	0.418889557162	-0.00835507903856	0.0859203229284	-0.0319297323012	0.0545651004254	0.208450483339	-0.157051900762	-0.0164899400854	0.358328656313	-0.482037529885	-0.21574343777	0.00565614328053	0.608110136748	0.206703152974	-0.0517740742542	0.173577066169	0.0728802778584	0.335350546502	-20.5135823465	33.9980478893	-4.50715076803
10	0.741837677129	-0.00728877730425	-0.0691812647985	0.833879071941	0.39814013546	0.199639458778	0.0282322253744	0.084703187525	0.132873895521	-0.0157607850344	-0.0600564489259	-0.0470008629031	-0.385571143864	-0.0365652035325	0.0166393037108	0.3010615388	-0.0263039107058	-0.00536448700877	0.105601709413	0.019330080098	0.150218315371	-9.92792561809	21.5815024949	-0.193256121163
11	0.170190366674	0.213686098871	-0.0536981282031	1.00987015968	0.190328897315	1.35975424644	0.0375035460713	-0.233766949709	0.131163331284	0.0533761541088	-0.165969994694	0.108683226552	-0.0842936122464	-0.112149706573	0.113560597982	0.316018933347	0.0167555197182	0.00245414121633	0.0647906644061	0.031102901291	0.218649680987	-11.5823644213	22.4009341605	8.09626604962
12	0.436885716393	-0.00997141608816	0.168372397929	0.849349337553	0.0277678456813	0.524991508397	0.0871140342076	0.00655191033718	-0.02114359698	-0.02556852775	-0.216923508391	-0.240066980085	-0.255891369003	0.106855348352	-0.016263417041	0.236531950541	-0.0261494328103	0.0197503387551	0.233815619827	0.0876696227047	0.310272868465	5.83154191648	17.3903705255	4.11711190332
13	0.48970190051	-0.109621237548	-0.0570400983973	0.375998029459	-0.26566875328	0.700134999697	0.126408454506	0.0378397309191	0.00392846957649	-0.106814683743	-0.0785553016649	-0.157090598515	0.0685135994041	0.084742082356	-0.0624946032442	0.224764383479	0.0528705217446	0.0924054845424	0.141879548825	0.01609122378	0.309386736264	7.54380359659	-21.8332310929	-5.6264180263
14	0.645504033809	0.281003866408	0.0127794187441	0.184777822939	0.0622703492549	0.582470900263	-0.0385356485166	-0.162691004923	-0.223020928428	0.28147972891	0.161761740955	-0.2268962535	0.310452800616	0.218285198845	0.0857569189849	0.355706868725	0.174979768718	-0.000275674105493	0.156132665031	-0.011932301711	0.507752104629	14.2669364097	-37.699593104	11.3582791309
15	0.0236434851847	0.0535701834213	0.00578032325468	0.344429721349	0.0278569517414	0.196853830635	-0.0456179854121	-0.00691078604245	0.00928560947918	0.0940287109574	0.0548131433288	-0.126805823613	0.179310098235	0.246605644544	0.00740837525969	0.263176162355	0.194983531104	0.0654942116579	0.33035682479	-0.0640147131898	0.593680013138	23.6829868294	-33.2941672578	5.92557162376
16	0.055726904964	-0.0604753128126	-0.0684641442492	0.10694547117	0.00822738261747	0.178468024492	-0.0669211364371	0.0156623302942	-0.193560209308	-0.0801876657089	0.10950917112	-0.225720355803	0.136269954616	0.246423084743	0.18358398596	-0.000720964539273	0.111293759782	0.232516556494	0.248581206365	-0.00103948790989	0.505763097899	17.0185059302	-23.1414801077	-2.86214545125
17	0.688655219942	0.35770631273	-0.328401090105	1.08429200397	0.113953005006	1.32157412795	0.117949938678	-0.200700280467	-0.0392320874121	0.334034844898	-0.100347280651	-0.229669713788	0.0872780289494	-0.0665173281141	0.0225645301211	0.23665398772	0.0751939990857	0.0350273962227	0.26730053339	0.0540214340514	0.232376149873	6.06779599929	-22.898610179	16.0335834039
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53	1.40111996143	0.288186329453	0.0476053035297	0.162747639316	0.0866353001162	0.0584742307742	0.119221474824	0.174641208171	0.211488916876	-0.0235390359896	-0.0498669164723	-0.00974515196327	-0.399801051398	0.207623506669	-0.00322943506454	0.641537174872	-0.284563057795	0.0418408895392	0.36052501858	0.0117845702517	0.23825612325	-8.45518274653	36.965157251	-58.8615000427
54	0.502795372125	0.1600287831	-0.250950381775	0.154555368983	0.0849029048374	0.436681583155	-0.0496693411545	0.0771495464186	0.141914559572	-0.216076255456	-0.0400586297921	-0.156605854204	-0.525975274505	0.171522025251	0.085801875762	0.455904938662	-0.0474190291759	-0.0110149423536	0.196129641348	0.0534060430025	0.136761171629	-19.2739261428	26.9852389366	-62.443728012
55	0.322910029936	-0.280123361332	-0.17517757515	0.686600245721	-0.594863979433	1.60819840953	-0.0944517493485	-0.343339480718	-0.098991122528	0.363747328408	0.0767006575859	-0.0167012256968	0.176958646578	0.292738284066	0.0667954142907	0.197116551333	0.0179581874921	0.0112439059851	0.325238266298	-0.0153368867587	0.270332002798	-9.9129363577	16.5866938953	-38.0632269826
56	0.570248608186	-0.0654090439297	-0.0441721690554	0.16458292205	-0.285682719747	0.579308824329	0.00177096837711	-0.160501723717	0.052648286902	-0.0253773436224	-0.0837010886533	-0.180623088437	-0.159947802795	0.299975824227	0.0430132769169	0.222426236573	-0.0122294132083	0.0308254368606	0.255102085945	0.00998491794427	0.219655310796	-13.9038025377	17.7284458668	-48.9423933554
57	1.07774178606	-0.0105912518784	0.0212750773196	1.17700865876	-0.372019722971	1.16248918437	-0.0443901258803	-0.0803077686226	0.0360236190402	-0.0969603608338	-0.0366537197876	-0.136885322328	0.0179610366097	-0.15268479661	0.129657529927	0.293283289885	0.0534443618728	0.0545361328644	0.205484332327	-0.0311657390562	0.189632165305	-23.0078956851	4.71656894378	-59.1355119897

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 -2 through 26 )	A	A	-2 - 26	1 - 29
2	2	chain 'A' and (resid 27 through 242 )	A	A	27 - 242	30 - 118
3	3	chain 'A' and (resid 243 through 292 )	A	A	243 - 292	119 - 168
4	4	chain 'A' and (resid 293 through 368 )	A	A	293 - 368	169 - 244
5	5	chain 'A' and (resid 369 through 427 )	A	A	369 - 427	245 - 290
6	6	chain 'A' and (resid 428 through 445 )	A	A	428 - 445	291 - 308
7	7	chain 'A' and (resid 446 through 486 )	A	A	446 - 486	309 - 349
8	8	chain 'B' and (resid -1 through 56 )	B	G	-1 - 56	1 - 58
9	9	chain 'B' and (resid 57 through 291 )	B	G	57 - 291	59 - 166
10	10	chain 'B' and (resid 292 through 389 )	B	G	292 - 389	167 - 264
11	11	chain 'B' and (resid 390 through 445 )	B	G	390 - 445	265 - 308
12	12	chain 'B' and (resid 446 through 487 )	B	G	446 - 487	309 - 350
13	13	chain 'C' and (resid -3 through 56 )	C	K	-3 - 56	1 - 60
14	14	chain 'C' and (resid 57 through 232 )	C	K	57 - 232	61 - 109
15	15	chain 'C' and (resid 233 through 257 )	C	K	233 - 257	110 - 134
16	16	chain 'C' and (resid 258 through 355 )	C	K	258 - 355	135 - 232
17	17	chain 'C' and (resid 356 through 427 )	C	K	356 - 427	233 - 292
18	18	chain 'C' and (resid 428 through 446 )	C	K	428 - 446	293 - 311
19	19	chain 'C' and (resid 447 through 486 )	C	K	447 - 486	312 - 351
20	20	chain 'D' and (resid -1 through 26 )	D	Q	-1 - 26	1 - 28
21	21	chain 'D' and (resid 27 through 56 )	D	Q	27 - 56	29 - 58
22	22	chain 'D' and (resid 57 through 91 )	D	Q	57 - 91	59 - 93
23	23	chain 'D' and (resid 92 through 242 )	D	Q	92 - 242	94 - 117
24	24	chain 'D' and (resid 243 through 270 )	D	Q	243 - 270	118 - 145
25	25	chain 'D' and (resid 271 through 355 )	D	Q	271 - 355	146 - 230
26	26	chain 'D' and (resid 356 through 445 )	D	Q	356 - 445	231 - 308
27	27	chain 'D' and (resid 446 through 486 )	D	Q	446 - 486	309 - 349
28	28	chain 'E' and (resid -1 through 28 )	E	U	-1 - 28	1 - 30
29	29	chain 'E' and (resid 29 through 65 )	E	U	29 - 65	31 - 67
30	30	chain 'E' and (resid 66 through 91 )	E	U	66 - 91	68 - 93
31	31	chain 'E' and (resid 92 through 242 )	E	U	92 - 242	94 - 117
32	32	chain 'E' and (resid 243 through 270 )	E	U	243 - 270	118 - 145
33	33	chain 'E' and (resid 271 through 292 )	E	U	271 - 292	146 - 167
34	34	chain 'E' and (resid 293 through 363 )	E	U	293 - 363	168 - 238
35	35	chain 'E' and (resid 364 through 398 )	E	U	364 - 398	239 - 273
36	36	chain 'E' and (resid 399 through 446 )	E	U	399 - 446	274 - 307
37	37	chain 'E' and (resid 447 through 486 )	E	U	447 - 486	308 - 347
38	38	chain 'F' and (resid -1 through 232 )	F	Y	-1 - 232	1 - 107
39	39	chain 'F' and (resid 233 through 257 )	F	Y	233 - 257	108 - 132
40	40	chain 'F' and (resid 258 through 471 )	F	Y	258 - 471	133 - 333
41	41	chain 'F' and (resid 472 through 486 )	F	Y	472 - 486	334 - 348
42	42	chain 'G' and (resid -3 through 19 )	G	G	-3 - 19	1 - 23
43	43	chain 'G' and (resid 20 through 242 )	G	G	20 - 242	24 - 119
44	44	chain 'G' and (resid 243 through 270 )	G	G	243 - 270	120 - 147
45	45	chain 'G' and (resid 271 through 368 )	G	G	271 - 368	148 - 245
46	46	chain 'G' and (resid 369 through 389 )	G	G	369 - 389	246 - 266
47	47	chain 'G' and (resid 390 through 427 )	G	G	390 - 427	267 - 291
48	48	chain 'G' and (resid 428 through 446 )	G	G	428 - 446	292 - 310
49	49	chain 'G' and (resid 447 through 487 )	G	G	447 - 487	311 - 351
50	50	chain 'H' and (resid -2 through 26 )	H	H	-2 - 26	1 - 29
51	51	chain 'H' and (resid 27 through 77 )	H	H	27 - 77	30 - 80
52	52	chain 'H' and (resid 78 through 232 )	H	H	78 - 232	81 - 108
53	53	chain 'H' and (resid 233 through 257 )	H	H	233 - 257	109 - 133
54	54	chain 'H' and (resid 258 through 368 )	H	H	258 - 368	134 - 244
55	55	chain 'H' and (resid 369 through 389 )	H	H	369 - 389	245 - 265
56	56	chain 'H' and (resid 390 through 445 )	H	H	390 - 445	266 - 308
57	57	chain 'H' and (resid 446 through 486 )	H	H	446 - 486	309 - 349

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