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- PDB-6c5u: Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP... -

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Basic information

Entry
Database: PDB / ID: 6c5u
TitleAminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Ribostamycin, Alternate form
ComponentsBifunctional AAC/APH
KeywordsTRANSFERASE/Antibiotic / Kinase / Antibiotic / Aminoglycoside / Resistance / Transferase / TRANSFERASE-Antibiotic complex
Function / homology
Function and homology information


aminoglycoside phosphotransferase activity / aminoglycoside 2''-phosphotransferase / N-acyltransferase activity / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / phosphorylation / response to antibiotic / ATP binding / cytoplasm
Similarity search - Function
Acetyltransferase (GNAT) domain / Aminoglycoside 3'-phosphotransferase; Chain: A, domain 2 / Aminoglycoside phosphotransferase (APH), C-terminal lobe / Aminoglycoside phosphotransferase / Phosphotransferase enzyme family / Gcn5-related N-acetyltransferase (GNAT) domain profile. / GNAT domain / Acyl-CoA N-acyltransferase / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 ...Acetyltransferase (GNAT) domain / Aminoglycoside 3'-phosphotransferase; Chain: A, domain 2 / Aminoglycoside phosphotransferase (APH), C-terminal lobe / Aminoglycoside phosphotransferase / Phosphotransferase enzyme family / Gcn5-related N-acetyltransferase (GNAT) domain profile. / GNAT domain / Acyl-CoA N-acyltransferase / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Protein kinase-like domain superfamily / Alpha-Beta Complex / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / RIBOSTAMYCIN / Bifunctional AAC/APH
Similarity search - Component
Biological speciesStaphylococcus aureus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.41 Å
AuthorsCaldwell, S.J. / Berghuis, A.M.
Funding support Canada, 1items
OrganizationGrant numberCountry
Canadian Institutes of Health Research (CIHR)MOP-13107 Canada
CitationJournal: Antimicrob. Agents Chemother. / Year: 2018
Title: Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Authors: Caldwell, S.J. / Berghuis, A.M.
History
DepositionJan 16, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 11, 2018Provider: repository / Type: Initial release
Revision 1.1May 2, 2018Group: Data collection / Database references / Category: citation
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Jul 4, 2018Group: Data collection / Database references / Category: citation / Item: _citation.journal_volume / _citation.title
Revision 1.3Feb 20, 2019Group: Author supporting evidence / Data collection / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4Jan 8, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Oct 4, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Bifunctional AAC/APH
B: Bifunctional AAC/APH
C: Bifunctional AAC/APH
D: Bifunctional AAC/APH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)147,54622
Polymers143,7934
Non-polymers3,75318
Water9,242513
1
A: Bifunctional AAC/APH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)37,0096
Polymers35,9481
Non-polymers1,0615
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: Bifunctional AAC/APH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)37,0096
Polymers35,9481
Non-polymers1,0615
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: Bifunctional AAC/APH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,5545
Polymers35,9481
Non-polymers6064
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: Bifunctional AAC/APH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,9735
Polymers35,9481
Non-polymers1,0254
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)90.249, 100.280, 94.040
Angle α, β, γ (deg.)90.00, 105.29, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
12A
22C
13A
23D
14B
24C
15B
25D
16C
26D

NCS domain segments:

Component-ID: 0 / Refine code: 0

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ASNASNTYRTYRAA182 - 4778 - 303
21ASNASNTYRTYRBB182 - 4778 - 303
12VALVALLYSLYSAA186 - 47812 - 304
22VALVALLYSLYSCC186 - 47812 - 304
13ASPASPARGARGAA181 - 4757 - 301
23ASPASPARGARGDD181 - 4757 - 301
14VALVALTYRTYRBB186 - 47712 - 303
24VALVALTYRTYRCC186 - 47712 - 303
15ASNASNARGARGBB182 - 4758 - 301
25ASNASNARGARGDD182 - 4758 - 301
16VALVALARGARGCC186 - 47512 - 301
26VALVALARGARGDD186 - 47512 - 301

NCS ensembles :
ID
1
2
3
4
5
6

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
Bifunctional AAC/APH


Mass: 35948.199 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: aacA-aphD, R015, VRA0030 / Details (production host): pET-22b-APH(2'')-Ia / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(LDE3)
References: UniProt: P0A0C1, Transferases; Acyltransferases; Transferring groups other than aminoacyl groups, aminoglycoside 2''-phosphotransferase

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Non-polymers , 5 types, 531 molecules

#2: Chemical
ChemComp-GNP / PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / 5'-Guanylyl imidodiphosphate


Mass: 522.196 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H17N6O13P3
Comment: GppNHp, GMPPNP, energy-carrying molecule analogue*YM
#3: Chemical ChemComp-RIO / RIBOSTAMYCIN / 5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY ]-TETRAHYDRO-PYRAN-3,4-DIOL / (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside / Ribostamycin


Mass: 454.473 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C17H34N4O10 / Comment: antibiotic*YM
#4: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Mg
#5: Chemical ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 513 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.85 Å3/Da / Density % sol: 56.91 %
Crystal growTemperature: 296 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: 80-120mM MgCl2, 8% glycerol, 10% PEG 3350, 100mM HEPES pH 7.5

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.9795 Å
DetectorType: RAYONIX MX-300 / Detector: CCD / Date: Aug 23, 2016
RadiationMonochromator: ACCEL/BRUKER double crystal monochromator (DCM), featuring indirectly cryo-cooled first crystal and sagittally focusing second crystal
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 2.42→90.71 Å / Num. obs: 62129 / % possible obs: 100 % / Redundancy: 3.8 % / Biso Wilson estimate: 59.981 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.07 / Rpim(I) all: 0.067 / Rrim(I) all: 0.097 / Net I/σ(I): 8.5
Reflection shellResolution: 2.42→2.48 Å / Redundancy: 3.6 % / Rmerge(I) obs: 1.543 / Mean I/σ(I) obs: 1 / Num. unique obs: 4552 / CC1/2: 0.173 / Rpim(I) all: 1.234 / Rrim(I) all: 1.807 / % possible all: 99.8

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Processing

Software
NameVersionClassification
REFMAC5.8.0158refinement
MOSFLM0.1.27data reduction
Aimless0.3.11data scaling
Coot0.7.2model building
RefinementMethod to determine structure: FOURIER SYNTHESIS
Starting model: 5IQA

5iqa


Resolution: 2.41→90.71 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.944 / SU B: 20.32 / SU ML: 0.216 / Cross valid method: THROUGHOUT / ESU R: 0.34 / ESU R Free: 0.234 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.22716 3119 5 %RANDOM
Rwork0.18028 ---
obs0.18267 58977 99.92 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 71.455 Å2
Baniso -1Baniso -2Baniso -3
1--0.07 Å2-0 Å2-0.22 Å2
2--0.46 Å20 Å2
3----0.24 Å2
Refinement stepCycle: 1 / Resolution: 2.41→90.71 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9550 0 232 513 10295
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0180.01910011
X-RAY DIFFRACTIONr_bond_other_d0.0020.028905
X-RAY DIFFRACTIONr_angle_refined_deg1.8461.96813565
X-RAY DIFFRACTIONr_angle_other_deg1.046320766
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.93351171
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.45725.61533
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.833151797
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.4511535
X-RAY DIFFRACTIONr_chiral_restr0.1150.21506
X-RAY DIFFRACTIONr_gen_planes_refined0.0080.0211208
X-RAY DIFFRACTIONr_gen_planes_other0.0010.021995
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it2.4764.2384660
X-RAY DIFFRACTIONr_mcbond_other2.4754.2394659
X-RAY DIFFRACTIONr_mcangle_it3.7516.3555815
X-RAY DIFFRACTIONr_mcangle_other3.7516.3555816
X-RAY DIFFRACTIONr_scbond_it3.0544.4625351
X-RAY DIFFRACTIONr_scbond_other3.0544.4635352
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other4.676.5927743
X-RAY DIFFRACTIONr_long_range_B_refined7.14449.77211455
X-RAY DIFFRACTIONr_long_range_B_other7.13749.7411448
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A194560.07
12B194560.07
21A191340.07
22C191340.07
31A190700.07
32D190700.07
41B190260.08
42C190260.08
51B191180.06
52D191180.06
61C187120.07
62D187120.07
LS refinement shellResolution: 2.415→2.478 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.343 214 -
Rwork0.364 4321 -
obs--99.63 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°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)
10.5528-1.75643.2315.6447-10.418619.370.3112-0.0142-0.0929-0.86080.06320.33361.32330.0166-0.37440.7295-0.1177-0.41570.42860.22680.599346.2627-2.616756.0016
27.0098-4.3904-0.141116.56834.74741.58390.0852-0.61761.2763-0.2561-0.41980.1446-0.1109-0.26460.33460.485-0.0152-0.06250.4169-0.07250.549333.9765-1.474562.2771
34.50115.49151.213412.2559-0.45161.0318-0.1389-0.7116-0.2380.08820.54941.0108-0.1565-0.7742-0.41050.56840.0321-0.010.75310.07670.658844.4658-2.845136.4256
42.81910.14011.50573.0868-1.79938.6787-0.07710.05260.1507-0.313-0.2351-0.29070.0070.66050.31230.11980.00790.09350.37560.03830.098254.4472.564651.679
523.3693-7.49360.34389.7197-6.16055.13450.0990.2203-0.5006-0.04990.32030.90060.0044-0.3283-0.41930.3547-0.0544-0.0260.3438-0.03110.409842.6298-0.114449.9614
6414.3245129.9303-153.298340.777-48.054956.73122.4198-4.65962.08120.7952-1.60070.5993-0.87381.6507-0.81910.38190.0151-0.21710.7951-0.07020.572743.463513.365249.2635
73.3844-1.3122-0.00866.3506-1.43044.35670.1087-0.0551-0.0959-0.0259-0.07930.26030.0427-0.1092-0.02940.0414-0.03170.00190.21890.00970.013145.8061-5.829471.2283
86.5178-3.33851.25893.3367-0.80152.5642-0.0907-0.05530.45040.3221-0.01950.141-0.47760.14590.11020.22740.00380.11660.205-0.01940.176928.788411.112571.5935
911.83114.919-4.3978.7401-4.38128.315-0.14030.6061-0.24-0.6556-0.0009-0.21860.2017-0.16680.14130.23260.09570.03980.3209-0.09550.148224.00586.321559.426
109.6144-4.4976-0.965614.42741.37255.1049-0.2817-1.0627-0.24230.29170.4852-0.5294-0.09330.195-0.20350.34340.022-0.03050.27210.01860.173637.05424.44520.7115
1110.0737-0.9614-4.58222.13819.67615.9593-0.1621-0.4416-0.105-0.4439-0.06520.3545-0.09730.14280.22740.4766-0.04770.04820.42590.05430.500336.9525-8.875315.7695
122.2852-0.64530.42070.2038-0.0820.14350.195-0.0013-0.77470.022-0.10020.25650.1915-0.1688-0.09480.6853-0.12520.05780.6815-0.08070.463237.85215.117840.4576
131.95350.40651.03662.5091-0.22697.8769-0.0789-0.27070.25910.1413-0.0515-0.012-0.62020.06620.13040.39970.0514-0.00620.1389-0.01130.109343.011912.835624.0551
141.34073.935-0.572911.9219-1.42880.4639-0.0352-0.10330.0055-0.007-0.23720.47810.22840.08940.27240.48660.0039-0.00050.37660.05020.608139.8520.314827.1526
155.39398.4169-23.238332.2898-13.3589128.40170.4933-0.22341.53861.40463.15275.2511-0.39025.3183-3.64611.04050.2191-0.18390.85440.29521.104152.75332.463824.9082
166.1571-1.7402-0.11873.83760.15553.3377-0.06750.0993-0.2798-0.06190.10380.38470.0022-0.2347-0.03640.19980.0356-0.02760.08070.02970.055133.81052.6835.6
172.1963-1.75460.56216.4045-1.52932.15670.07460.1723-0.1359-0.1286-0.13470.04-0.12070.03510.06010.0552-0.01270.02350.1438-0.0810.066449.8183-15.24877.5677
182.83170.97432.55396.53031.98784.20630.0723-0.29840.12610.4387-0.23590.3766-0.038-0.32430.16360.2769-0.00250.09550.2684-0.00310.257444.3876-18.581320.0891
195.6169-8.56880.961713.6446-2.96487.6414-0.00320.4740.4784-0.3514-0.6825-1.15530.10240.00490.68570.5449-0.03010.2270.3697-0.06510.621163.99235.509675.0199
2025.9834-12.52315.395811.402810.621137.9069-0.42720.53491.8104-0.6764-0.294-0.7344-1.26050.7370.72120.5856-0.034-0.01360.48840.01880.486763.040734.495455.0874
213.6049-0.3898-0.46543.14041.98259.2694-0.10560.131-0.056-0.4382-0.03770.2343-0.0201-0.84320.14330.132-0.0437-0.05430.4465-0.09450.27555.898630.18270.6672
2214.3778-5.3733-0.20042.27011.070811.1303-0.3636-0.31170.60350.11890.2134-0.48480.11420.25830.15030.3454-0.0634-0.02760.3357-0.04110.490168.710232.328469.3474
233.4754-1.81440.64634.917-2.40037.1279-0.2886-0.0810.24630.22610.0096-0.0429-0.8848-0.21130.27910.18020.0776-0.11940.3177-0.10530.23464.075239.31489.9993
245.5183-3.0751-2.55872.67460.77953.3692-0.244-0.0635-0.49990.04490.01920.32580.2928-0.32010.22480.1016-0.0289-0.00540.0983-0.03210.127281.616522.459491.8286
2511.10583.88423.38268.56332.96529.3254-0.31140.24780.4484-0.4626-0.16510.7334-0.191-0.6080.47650.07860.03620.00430.2175-0.00820.108986.7426.285979.8465
2611.65823.87274.4931.70220.71423.23750.0465-0.10910.09350.3498-0.02990.1089-0.5592-0.136-0.01660.3894-0.05380.08570.4017-0.02460.355174.225729.035140.4962
2718.2845-2.470212.53563.256-1.18898.6873-0.1352-0.1450.3883-0.0155-0.31570.742-0.1284-0.16210.45080.5104-0.059-0.05660.5606-0.10230.683973.780342.629935.8851
280.41110.4577-0.3411.974-0.70810.358-0.00070.23570.1112-0.1352-0.0804-0.62110.0026-0.11920.08110.5448-0.0275-0.01340.55240.0260.569272.769128.724660.2637
291.7017-0.2315-0.82083.0055-1.24148.1122-0.0621-0.1026-0.2678-0.187-0.0386-0.02280.2773-0.12830.10070.2609-0.0502-0.0420.502-0.04480.370868.221220.27343.3924
300.2679-1.37240.70667.6506-4.16882.4013-0.00550.03970.2110.1946-0.109-0.5495-0.31740.06160.11450.54740.01440.01940.450.01720.670871.032731.744546.8463
31193.551524.4873-72.78933.0993-9.209627.37430.46280.27281.29760.0940.03030.157-0.1907-0.1016-0.49311.07170.331-0.36770.7918-0.28420.526357.31830.915946.2189
326.5215-0.63930.58333.2883-1.29963.02290.0130.3489-0.1422-0.3486-0.0559-0.28870.18360.18930.04280.2826-0.00560.09790.5656-0.06460.241777.737431.729925.6692
335.368-3.694-0.98266.9820.49652.7290.01060.09980.63110.13650.1585-0.2912-0.0360.1904-0.16910.1724-0.0518-0.07070.53520.05880.262661.322649.009127.7441
344.73581.7566-3.04217.1553-0.948311.7987-0.1823-0.51110.20991.0294-0.1052-0.5286-0.16610.62750.28750.56230.1006-0.1750.7041-0.01080.372165.606550.898741.0159
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A500
2X-RAY DIFFRACTION1A700 - 702
3X-RAY DIFFRACTION1A900 - 911
4X-RAY DIFFRACTION2A600
5X-RAY DIFFRACTION3A181 - 187
6X-RAY DIFFRACTION4A188 - 207
7X-RAY DIFFRACTION4A217 - 229
8X-RAY DIFFRACTION4A237 - 277
9X-RAY DIFFRACTION5A208 - 216
10X-RAY DIFFRACTION6A230
11X-RAY DIFFRACTION7A278 - 318
12X-RAY DIFFRACTION7A367 - 431
13X-RAY DIFFRACTION8A319 - 366
14X-RAY DIFFRACTION8A432 - 447
15X-RAY DIFFRACTION9A448 - 479
16X-RAY DIFFRACTION10B500
17X-RAY DIFFRACTION10B700 - 702
18X-RAY DIFFRACTION10B900 - 906
19X-RAY DIFFRACTION11B600
20X-RAY DIFFRACTION12B182 - 187
21X-RAY DIFFRACTION13B188 - 207
22X-RAY DIFFRACTION13B217 - 229
23X-RAY DIFFRACTION13B237 - 277
24X-RAY DIFFRACTION14B208 - 216
25X-RAY DIFFRACTION15B230 - 236
26X-RAY DIFFRACTION16B278 - 318
27X-RAY DIFFRACTION16B367 - 431
28X-RAY DIFFRACTION17B319 - 366
29X-RAY DIFFRACTION17B432 - 447
30X-RAY DIFFRACTION18B448 - 478
31X-RAY DIFFRACTION19C500
32X-RAY DIFFRACTION19C700 - 702
33X-RAY DIFFRACTION19C900 - 911
34X-RAY DIFFRACTION20C186 - 187
35X-RAY DIFFRACTION21C188 - 207
36X-RAY DIFFRACTION21C217 - 229
37X-RAY DIFFRACTION21C237 - 277
38X-RAY DIFFRACTION22C208 - 216
39X-RAY DIFFRACTION23C278 - 318
40X-RAY DIFFRACTION23C367 - 431
41X-RAY DIFFRACTION24C319 - 366
42X-RAY DIFFRACTION24C432 - 447
43X-RAY DIFFRACTION25C448 - 479
44X-RAY DIFFRACTION26D500
45X-RAY DIFFRACTION26D700 - 702
46X-RAY DIFFRACTION26D900 - 911
47X-RAY DIFFRACTION27D600
48X-RAY DIFFRACTION28D180 - 187
49X-RAY DIFFRACTION29D188 - 207
50X-RAY DIFFRACTION29D217 - 229
51X-RAY DIFFRACTION29D237 - 277
52X-RAY DIFFRACTION30D208 - 216
53X-RAY DIFFRACTION31D230
54X-RAY DIFFRACTION32D278 - 318
55X-RAY DIFFRACTION32D367 - 431
56X-RAY DIFFRACTION33D319 - 366
57X-RAY DIFFRACTION33D432 - 447
58X-RAY DIFFRACTION34D448 - 476

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