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- PDB-8bds: Ternary complex between VCB, BRD4-BD1 and PROTAC 48 -

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Basic information

Entry
Database: PDB / ID: 8bds
TitleTernary complex between VCB, BRD4-BD1 and PROTAC 48
Components
  • Bromodomain-containing protein 4
  • Elongin-B
  • Elongin-C
  • von Hippel-Lindau disease tumor suppressor
KeywordsLIGASE / PROTAC / degrader / complex / E3 ligase / VHL / VCB
Function / homology
Function and homology information


regulation of cellular response to hypoxia / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / transcription elongation factor activity / target-directed miRNA degradation / elongin complex / Replication of the SARS-CoV-1 genome / VCB complex / Cul5-RING ubiquitin ligase complex / Cul2-RING ubiquitin ligase complex ...regulation of cellular response to hypoxia / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / transcription elongation factor activity / target-directed miRNA degradation / elongin complex / Replication of the SARS-CoV-1 genome / VCB complex / Cul5-RING ubiquitin ligase complex / Cul2-RING ubiquitin ligase complex / intracellular membraneless organelle / SUMOylation of ubiquitinylation proteins / RNA polymerase II C-terminal domain binding / P-TEFb complex binding / negative regulation of DNA damage checkpoint / Pausing and recovery of Tat-mediated HIV elongation / Tat-mediated HIV elongation arrest and recovery / negative regulation of transcription elongation by RNA polymerase II / histone H4 reader activity / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / host-mediated suppression of viral transcription / positive regulation of G2/M transition of mitotic cell cycle / negative regulation of signal transduction / Tat-mediated elongation of the HIV-1 transcript / positive regulation of T-helper 17 cell lineage commitment / Formation of HIV-1 elongation complex containing HIV-1 Tat / ubiquitin-like ligase-substrate adaptor activity / Formation of HIV elongation complex in the absence of HIV Tat / RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / : / negative regulation of TORC1 signaling / RNA Polymerase II Pre-transcription Events / RNA polymerase II CTD heptapeptide repeat kinase activity / negative regulation of autophagy / protein serine/threonine kinase binding / transcription corepressor binding / condensed nuclear chromosome / transcription coregulator activity / TP53 Regulates Transcription of DNA Repair Genes / transcription initiation at RNA polymerase II promoter / positive regulation of cell differentiation / transcription elongation by RNA polymerase II / positive regulation of transcription elongation by RNA polymerase II / Vif-mediated degradation of APOBEC3G / Inactivation of CSF3 (G-CSF) signaling / Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha / Evasion by RSV of host interferon responses / Regulation of expression of SLITs and ROBOs / cell morphogenesis / ubiquitin-protein transferase activity / p53 binding / transcription corepressor activity / Antigen processing: Ubiquitination & Proteasome degradation / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / chromosome / Neddylation / microtubule cytoskeleton / regulation of gene expression / regulation of inflammatory response / protein-containing complex assembly / Replication of the SARS-CoV-2 genome / ubiquitin-dependent protein catabolic process / protein-macromolecule adaptor activity / histone binding / cellular response to hypoxia / molecular adaptor activity / DNA-binding transcription factor binding / amyloid fibril formation / Potential therapeutics for SARS / proteasome-mediated ubiquitin-dependent protein catabolic process / transcription coactivator activity / positive regulation of canonical NF-kappaB signal transduction / transcription cis-regulatory region binding / protein stabilization / protein ubiquitination / cilium / chromatin remodeling / negative regulation of cell population proliferation / negative regulation of gene expression / protein serine/threonine kinase activity / DNA damage response / ubiquitin protein ligase binding / chromatin binding / regulation of DNA-templated transcription / regulation of transcription by RNA polymerase II / negative regulation of apoptotic process / chromatin / positive regulation of DNA-templated transcription / enzyme binding / endoplasmic reticulum / negative regulation of transcription by RNA polymerase II / positive regulation of transcription by RNA polymerase II / mitochondrion / proteolysis / nucleoplasm / nucleus / plasma membrane / cytosol
Similarity search - Function
von Hippel-Lindau disease tumour suppressor, beta/alpha domain / von Hippel-Lindau disease tumour suppressor, alpha domain / von Hippel-Lindau disease tumour suppressor, beta domain / VHL superfamily / von Hippel-Lindau disease tumour suppressor, alpha domain superfamily / von Hippel-Lindau disease tumour suppressor, beta domain superfamily / VHL beta domain / VHL box domain / Elongin-C / Elongin B ...von Hippel-Lindau disease tumour suppressor, beta/alpha domain / von Hippel-Lindau disease tumour suppressor, alpha domain / von Hippel-Lindau disease tumour suppressor, beta domain / VHL superfamily / von Hippel-Lindau disease tumour suppressor, alpha domain superfamily / von Hippel-Lindau disease tumour suppressor, beta domain superfamily / VHL beta domain / VHL box domain / Elongin-C / Elongin B / Potassium Channel Kv1.1; Chain A / Potassium Channel Kv1.1; Chain A / S-phase kinase-associated protein 1-like / SKP1 component, POZ domain / Skp1 family, tetramerisation domain / Found in Skp1 protein family / Bromodomain protein 4, C-terminal / C-terminal domain of bromodomain protein 4 / Brdt, bromodomain, repeat I / Brdt, bromodomain, repeat II / NET domain superfamily / NET domain profile. / : / NET domain / Bromodomain extra-terminal - transcription regulation / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / SKP1/BTB/POZ domain superfamily / Bromodomain-like / Histone Acetyltransferase; Chain A / Ubiquitin-like (UB roll) / Bromodomain, conserved site / Bromodomain signature. / Bromodomain / bromo domain / Bromodomain / Bromodomain (BrD) profile. / Bromodomain-like superfamily / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily / Roll / Up-down Bundle / 2-Layer Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Chem-QIY / Bromodomain-containing protein 4 / von Hippel-Lindau disease tumor suppressor / Elongin-C / Elongin-B
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.72 Å
AuthorsSorrell, F.J. / Mueller, J.E. / Lehmann, M. / Wegener, A.
Funding support Germany, 1items
OrganizationGrant numberCountry
Not funded Germany
CitationJournal: Chemmedchem / Year: 2023
Title: Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Authors: Krieger, J. / Sorrell, F.J. / Wegener, A.A. / Leuthner, B. / Machrouhi-Porcher, F. / Hecht, M. / Leibrock, E.M. / Muller, J.E. / Eisert, J. / Hartung, I.V. / Schlesiger, S.
History
DepositionOct 20, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 15, 2023Provider: repository / Type: Initial release
Revision 1.1Mar 22, 2023Group: Database references / Category: citation / citation_author
Item: _citation.page_first / _citation.page_last ..._citation.page_first / _citation.page_last / _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Apr 26, 2023Group: Database references / Category: citation / Item: _citation.journal_volume
Revision 2.0Jan 24, 2024Group: Data collection / Derived calculations ...Data collection / Derived calculations / Non-polymer description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / entity / pdbx_entity_nonpoly
Item: _chem_comp.formula / _chem_comp.formula_weight ..._chem_comp.formula / _chem_comp.formula_weight / _chem_comp.name / _entity.formula_weight / _entity.pdbx_description / _pdbx_entity_nonpoly.name
Revision 2.1Feb 7, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Elongin-B
B: Elongin-C
C: von Hippel-Lindau disease tumor suppressor
D: Bromodomain-containing protein 4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,31815
Polymers56,5254
Non-polymers1,79411
Water7,134396
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration, isothermal titration calorimetry
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7920 Å2
ΔGint-70 kcal/mol
Surface area23650 Å2
Unit cell
Length a, b, c (Å)79.031, 79.031, 204.206
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number152
Space group name H-MP3121
Components on special symmetry positions
IDModelComponents
11C-523-

HOH

21D-712-

HOH

31D-742-

HOH

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Components

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Protein , 4 types, 4 molecules ABCD

#1: Protein Elongin-B / EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / ...EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / Transcription elongation factor B polypeptide 2


Mass: 11748.406 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ELOB, TCEB2 / Production host: Escherichia coli (E. coli) / References: UniProt: Q15370
#2: Protein Elongin-C / EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / ...EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / Transcription elongation factor B polypeptide 1


Mass: 10974.616 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ELOC, TCEB1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q15369
#3: Protein von Hippel-Lindau disease tumor suppressor / Protein G7 / pVHL


Mass: 18702.291 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: VHL / Production host: Escherichia coli (E. coli) / References: UniProt: P40337
#4: Protein Bromodomain-containing protein 4 / Protein HUNK1


Mass: 15099.380 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: BRD4, HUNK1 / Production host: Escherichia coli (E. coli) / References: UniProt: O60885

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Non-polymers , 4 types, 407 molecules

#5: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: SO4
#6: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C2H6O2
#7: Chemical ChemComp-QIY / (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide


Mass: 1037.061 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C50H63Cl2N9O9S / Feature type: SUBJECT OF INVESTIGATION
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 396 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 3.26 Å3/Da / Density % sol: 62.23 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop
Details: 1.4M Ammonium Sulfate, 4% (w/v) glycerol, 0.1M HEPES pH 7.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 18, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 1.718→68.443 Å / Num. obs: 63052 / % possible obs: 95.9 % / Redundancy: 9.4 % / CC1/2: 0.999 / Rmerge(I) obs: 0.076 / Rpim(I) all: 0.026 / Rrim(I) all: 0.081 / Net I/σ(I): 15.2 / Num. measured all: 593475
Reflection shellResolution: 1.718→1.871 Å / Redundancy: 9.3 % / Rmerge(I) obs: 1.399 / Num. unique obs: 3152 / CC1/2: 0.621 / Rpim(I) all: 0.483 / Rrim(I) all: 1.481 / % possible all: 69.1

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Processing

Software
NameVersionClassification
XDSdata reduction
Aimlessdata scaling
REFMAC5.8.0267refinement
PDB_EXTRACT3.27data extraction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5nw1, 3mxf

5nw1

3mxf


Resolution: 1.72→68.44 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.949 / SU B: 4.377 / SU ML: 0.07 / SU R Cruickshank DPI: 0.1005 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.1 / ESU R Free: 0.1 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.1973 3134 5 %RANDOM
Rwork0.1677 ---
obs0.1692 59918 79.12 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso max: 124.25 Å2 / Biso mean: 37.641 Å2 / Biso min: 18.89 Å2
Baniso -1Baniso -2Baniso -3
1--0.04 Å2-0.02 Å2-0 Å2
2---0.04 Å20 Å2
3---0.12 Å2
Refinement stepCycle: final / Resolution: 1.72→68.44 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3763 0 115 396 4274
Biso mean--42.96 44.28 -
Num. residues----469
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0140.0133992
X-RAY DIFFRACTIONr_bond_other_d0.0030.0173765
X-RAY DIFFRACTIONr_angle_refined_deg1.8241.6645423
X-RAY DIFFRACTIONr_angle_other_deg1.4631.5778690
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.8275470
X-RAY DIFFRACTIONr_dihedral_angle_2_deg33.51421.822214
X-RAY DIFFRACTIONr_dihedral_angle_3_deg13.12115663
X-RAY DIFFRACTIONr_dihedral_angle_4_deg22.4871527
X-RAY DIFFRACTIONr_chiral_restr0.0860.2513
X-RAY DIFFRACTIONr_gen_planes_refined0.0110.024431
X-RAY DIFFRACTIONr_gen_planes_other0.0010.02892
LS refinement shellResolution: 1.72→1.763 Å / Rfactor Rfree error: 0
RfactorNum. reflection% reflection
Rfree0.301 16 -
Rwork0.321 232 -
obs--4.31 %
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)
112.3433-4.4378-5.67189.20216.961711.04760.0463-0.21710.02560.4429-0.35680.4010.2433-0.51960.31050.1325-0.04830.01670.1657-0.03030.135616.5188-25.941914.6256
24.25181.13480.51243.14031.22220.76040.0458-0.28070.20870.0562-0.0626-0.07740.1464-0.06350.01680.1026-0.0062-0.00320.15720.00120.080520.3073-28.36079.3812
35.95832.6787-0.59244.90940.24953.8396-0.0889-0.0475-0.0380.0307-0.0239-0.0151-0.2467-0.28620.11280.09920.0195-0.01220.1206-0.01650.102215.0104-31.01572.3558
42.2846-0.30680.30243.4973-0.04396.32090.10460.0597-0.166-0.09840.0492-0.15390.01080.0922-0.15380.0871-0.01230.01740.1106-0.03040.138820.0323-36.57842.0431
512.9185-2.8734.82037.93161.57139.20930.199-0.2495-0.59270.48290.081-0.26390.3980.1277-0.280.2093-0.0295-0.01790.14690.04130.159618.7849-41.390311.6729
613.4744-2.91034.73450.6644-1.110410.38050.1609-0.82550.01690.05250.09810.02180.7276-0.3606-0.2590.3469-0.16210.04730.35980.00310.142211.7674-36.717215.1997
715.850916.9396-5.902622.4048-5.38410.57210.2635-0.80940.02710.9876-0.43110.30650.2542-0.5240.16770.30150.00530.06790.3930.01420.240315.537-26.836922.2899
82.345-1.6637-1.55186.73616.54197.66670.178-0.25490.03330.1532-0.0046-0.26940.10110.0174-0.17340.1218-0.04130.00590.1566-0.01210.124522.1316-28.309214.6202
92.77872.50922.76733.99622.71864.6493-0.05120.0962-0.3049-0.16870.1415-0.48860.13240.2542-0.09030.11470.040.01310.1363-0.04080.242128.063-39.75741.2187
105.16023.94585.40049.44149.880311.3980.2102-0.5433-0.21390.70580.2616-0.72270.66760.4096-0.47180.20550.0194-0.08550.43340.02710.283841.5471-20.432123.4506
1127.4866-4.0743-1.505912.44911.58728.8138-0.02021.0417-0.0732-0.3165-0.2640.7962-0.2192-0.7330.28420.1690.0135-0.01540.2079-0.03810.124820.0146-18.0351.938
126.24130.3682-0.43741.6105-1.42193.29490.02530.155-0.2189-0.16590.0398-0.08640.1062-0.0567-0.06510.0943-0.00210.03350.1503-0.02770.146333.3245-21.12586.0624
138.3986-2.30650.935121.79413.74015.378-0.113-0.00760.0368-0.0036-0.01170.841-0.1007-0.5130.12470.0946-0.0095-0.00090.24-0.01840.12319.823-15.90725.5438
146.23313.9338-2.78864.9336-2.79295.44440.07420.21970.3763-0.11470.04980.2075-0.0119-0.2331-0.1240.10560.00930.03780.1563-0.00550.133624.6208-7.61165.4771
150.4980.9775-0.043119.4021-14.304711.6144-0.26120.7421-0.1854-1.56342.11342.02420.7611-0.5538-1.85221.0878-0.172-0.20641.4138-0.09720.527726.1975-11.9555-2.9436
162.7659-0.1555-2.21191.21961.01043.370.0883-0.15380.07730.0156-0.1023-0.1448-0.09110.04580.0140.0937-0.00920.02230.1772-0.01420.139131.9583-16.345911.9491
177.0282-0.0838-3.90823.22540.52412.57260.17970.21720.15040.1202-0.15160.4056-0.2419-0.7026-0.02810.1066-0.02920.04730.2312-0.05540.146815.944-12.743518.5835
180.00310.02170.00750.37560.19040.1160.01630.01510.0192-0.0759-0.09780.2426-0.0495-0.14660.08150.36910.05890.05060.5820.03190.425412.0218-12.350626.5509
1912.8226-1.4061-3.51011.96960.42041.11640.0048-0.5937-0.32010.4563-0.04340.10990.12580.28280.03850.2505-0.0135-0.00290.2829-0.02130.139429.6188-17.161825.9152
203.7241-1.87471.35962.938-2.18627.61560.1536-0.13340.23160.0441-0.0214-0.2156-0.26490.2623-0.13220.1097-0.06810.03210.2075-0.04570.14234.5103-9.904316.8967
217.5888-0.2394-3.16376.25812.1736.42550.05090.01810.9436-0.3474-0.10120.2679-0.8158-0.28860.05030.33020.0629-0.12280.1198-0.03510.17626.647311.872540.4023
222.0885-0.2650.08562.2480.6680.885-0.0859-0.06180.1330.0230.0834-0.1878-0.10020.0390.00250.1928-0.0444-0.01530.1544-0.03530.050415.4033-1.504840.9407
231.9842-2.5734-0.043823.39690.08618.0668-0.1271-0.3290.13130.22450.3180.44770.0457-0.5319-0.19090.1326-0.0301-0.02730.2368-0.04920.1474.38113.053544.5826
243.7875-1.06750.06120.77750.85241.7022-0.08280.07280.2223-0.18990.1319-0.1049-0.28850.1834-0.0490.243-0.10270.00380.1815-0.03650.085817.282-0.34935.3631
257.8948-1.8876-7.356818.24577.007513.20.04740.27030.1928-0.7037-0.15280.2893-0.7319-0.28960.10540.2191-0.0124-0.08890.19260.00480.08819.91481.926431.1063
2615.7557-5.3472-2.9628.5452.04632.3612-0.11870.00960.6486-0.05810.01930.21-0.4507-0.42420.09940.28280.04850.00960.35-0.0350.2767-3.7430.328739.4835
272.0395-0.9945-1.24940.50250.55431.41350.0869-0.18090.098-0.01690.0512-0.0658-0.17480.2185-0.13810.1652-0.09250.00960.2354-0.06560.12126.1801-7.805928.8074
286.1329-1.98331.59068.0614-1.19517.14940.2504-0.03260.4268-0.0443-0.0386-0.7998-0.46121.3011-0.21180.1055-0.20010.01050.4838-0.10970.295841.444-3.046726.0521
2910.313-9.62643.677214.2701-5.72392.4443-0.0130.47980.7283-0.32310.25840.1197-0.0868-0.0463-0.24540.7195-0.0960.04830.39170.05330.447223.45917.373830.0467
302.09251.8479-2.46611.6326-2.17722.9070.16250.15870.270.1330.13290.2583-0.193-0.1862-0.29540.92330.0132-0.12010.74430.09950.816416.317913.238222.7205
318.37732.65739.15185.0375-0.151512.2253-0.4282-0.82460.5599-0.42440.06290.4966-0.2228-1.14140.36530.28840.0159-0.06750.2638-0.05910.245616.374519.163563.4152
321.85510.2238-0.03456.21591.8442.3556-0.03170.0195-0.0003-0.10790.1135-0.6408-0.12670.1842-0.08180.1177-0.04480.03060.07720.03280.153239.087114.022263.1451
338.54141.70534.18295.53983.32394.4095-0.19160.5745-0.1617-0.41460.3242-0.4953-0.31030.2806-0.13270.2777-0.04910.0930.21280.00690.132630.19885.11449.4419
343.8201-0.463-0.55631.47290.6242.3649-0.18580.1090.1084-0.24630.12750.1847-0.1305-0.15250.05820.1972-0.0236-0.04650.10950.01660.082615.717810.116256.228
3514.34383.24521.43795.146-3.34755.0923-0.058-0.54970.4490.32560.11040.2775-0.3831-0.417-0.05240.2050.0388-0.00530.1643-0.04030.114114.87810.609468.4263
364.96831.95070.47312.85580.31291.5675-0.10820.24590.1087-0.22330.0878-0.0466-0.06410.02990.02040.1846-0.0321-0.00820.0760.01340.100531.158614.81460.6828
374.41191.67860.27181.9031-0.28810.9057-0.04780.01060.0339-0.0292-0.0318-0.1818-0.0854-0.03420.07960.1566-0.0134-0.00320.0773-0.0020.10828.49976.026965.6709
382.04123.4703-3.46268.9949-2.376715.0869-0.03110.1718-0.0136-0.0252-0.06370.71830.7478-0.9720.09480.2541-0.063-0.0440.2399-0.03370.305712.8541-3.048458.2902
3913.1115-1.59161.86311.5767-0.71941.80490.08090.2864-0.3395-0.2851-0.0862-0.18080.2316-0.02490.00530.2238-0.02330.05740.1169-0.02640.132228.5543-2.474356.9701
4025.33466.27779.5629.82298.232125.6502-0.1146-0.02130.21180.18340.1787-0.992-0.23760.8639-0.06410.18340.0040.06140.16350.08170.354846.26472.133362.5784
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 7
2X-RAY DIFFRACTION2A8 - 23
3X-RAY DIFFRACTION3A24 - 35
4X-RAY DIFFRACTION4A36 - 46
5X-RAY DIFFRACTION5A47 - 53
6X-RAY DIFFRACTION6A54 - 62
7X-RAY DIFFRACTION7A63 - 68
8X-RAY DIFFRACTION8A69 - 78
9X-RAY DIFFRACTION9A79 - 91
10X-RAY DIFFRACTION10A92 - 104
11X-RAY DIFFRACTION11B16 - 20
12X-RAY DIFFRACTION12B21 - 29
13X-RAY DIFFRACTION13B30 - 34
14X-RAY DIFFRACTION14B35 - 48
15X-RAY DIFFRACTION15B49 - 60
16X-RAY DIFFRACTION16B61 - 77
17X-RAY DIFFRACTION17B78 - 85
18X-RAY DIFFRACTION18B86 - 91
19X-RAY DIFFRACTION19B92 - 98
20X-RAY DIFFRACTION20B99 - 112
21X-RAY DIFFRACTION21C61 - 73
22X-RAY DIFFRACTION22C74 - 107
23X-RAY DIFFRACTION23C108 - 113
24X-RAY DIFFRACTION24C114 - 131
25X-RAY DIFFRACTION25C132 - 138
26X-RAY DIFFRACTION26C139 - 147
27X-RAY DIFFRACTION27C148 - 172
28X-RAY DIFFRACTION28C173 - 191
29X-RAY DIFFRACTION29C192 - 201
30X-RAY DIFFRACTION30C202 - 207
31X-RAY DIFFRACTION31D42 - 48
32X-RAY DIFFRACTION32D49 - 70
33X-RAY DIFFRACTION33D71 - 78
34X-RAY DIFFRACTION34D79 - 97
35X-RAY DIFFRACTION35D98 - 103
36X-RAY DIFFRACTION36D104 - 118
37X-RAY DIFFRACTION37D119 - 139
38X-RAY DIFFRACTION38D140 - 145
39X-RAY DIFFRACTION39D146 - 162
40X-RAY DIFFRACTION40D163 - 168

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