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- PDB-1m5p: Transition State Stabilization by a Catalytic RNA -

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Basic information

Entry
Database: PDB / ID: 1m5p
TitleTransition State Stabilization by a Catalytic RNA
Components
  • (RNA INHIBITOR ...) x 2
  • RNA HAIRPIN RIBOZYME
  • U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
KeywordsTRANSLATION/RNA / HAIRPIN RIBOZYME / CATALYTIC RNA / U1A RNA BINDING PROTEIN / CL5* / TRANSLATION-RNA COMPLEX
Function / homology
Function and homology information


U1 snRNP binding / U1 snRNP / U1 snRNA binding / U4/U6 x U5 tri-snRNP complex / mRNA Splicing - Major Pathway / spliceosomal complex / mRNA splicing, via spliceosome / DNA binding / RNA binding / nucleoplasm ...U1 snRNP binding / U1 snRNP / U1 snRNA binding / U4/U6 x U5 tri-snRNP complex / mRNA Splicing - Major Pathway / spliceosomal complex / mRNA splicing, via spliceosome / DNA binding / RNA binding / nucleoplasm / identical protein binding / nucleus
Similarity search - Function
U1 small nuclear ribonucleoprotein A, RNA recognition motif 2 / U1 small nuclear ribonucleoprotein A, RNA recognition motif 1 / RRM (RNA recognition motif) domain / RNA recognition motif / RNA recognition motif / Eukaryotic RNA Recognition Motif (RRM) profile. / RNA recognition motif domain / RNA-binding domain superfamily / Nucleotide-binding alpha-beta plait domain superfamily / Alpha-Beta Plaits ...U1 small nuclear ribonucleoprotein A, RNA recognition motif 2 / U1 small nuclear ribonucleoprotein A, RNA recognition motif 1 / RRM (RNA recognition motif) domain / RNA recognition motif / RNA recognition motif / Eukaryotic RNA Recognition Motif (RRM) profile. / RNA recognition motif domain / RNA-binding domain superfamily / Nucleotide-binding alpha-beta plait domain superfamily / Alpha-Beta Plaits / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
RNA / RNA (> 10) / U1 small nuclear ribonucleoprotein A
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.6 Å
AuthorsRupert, P.B. / Massey, A. / Sigurdsson, S.T. / Ferre-D'Amare, A.R.
Citation
Journal: Science / Year: 2002
Title: Transition state stabilization by a catalytic RNA
Authors: Rupert, P.B. / Massey, A.P. / Sigurdsson, S.T. / Ferre-D'Amare, A.R.
#1: Journal: Nature / Year: 2001
Title: Crystal structure of a hairpin ribozyme-inhibitor complex with implications for catalysis
Authors: Rupert, P.B. / Ferre-D'Amare, A.R.
History
DepositionJul 9, 2002Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 12, 2002Provider: repository / Type: Initial release
Revision 1.1Apr 28, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Apr 4, 2018Group: Data collection / Category: diffrn_source / Item: _diffrn_source.type
Revision 1.4Oct 27, 2021Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_conn_angle ...database_2 / pdbx_struct_conn_angle / struct_conn / struct_conn_type / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _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_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_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.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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_conn.ptnr2_label_seq_id / _struct_conn_type.id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.5Feb 14, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: RNA INHIBITOR SUBSTRATE
M: RNA INHIBITOR SUBSTRATE
B: RNA HAIRPIN RIBOZYME
D: RNA INHIBITOR SUBSTRATE
P: RNA INHIBITOR SUBSTRATE
E: RNA HAIRPIN RIBOZYME
C: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
F: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,64634
Polymers95,6038
Non-polymers1,04226
Water81145
1
A: RNA INHIBITOR SUBSTRATE
M: RNA INHIBITOR SUBSTRATE
B: RNA HAIRPIN RIBOZYME
C: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,32317
Polymers47,8024
Non-polymers52113
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: RNA INHIBITOR SUBSTRATE
P: RNA INHIBITOR SUBSTRATE
E: RNA HAIRPIN RIBOZYME
F: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,32317
Polymers47,8024
Non-polymers52113
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)259.800, 44.300, 102.400
Angle α, β, γ (deg.)90.00, 107.00, 90.00
Int Tables number5
Cell settingmonoclinic
Space group name H-MC121

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Components

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RNA INHIBITOR ... , 2 types, 4 molecules ADMP

#1: RNA chain RNA INHIBITOR SUBSTRATE


Mass: 3810.352 Da / Num. of mol.: 2 / Source method: obtained synthetically
Details: THIS SEQUENCE OCCURS NATURALLY IN SATELLITE TOBACCO RINGSPOT VIRUS
#2: RNA chain RNA INHIBITOR SUBSTRATE


Mass: 2683.120 Da / Num. of mol.: 2 / Source method: obtained synthetically
Details: THIS SEQUENCE OCCURS NATURALLY IN SATELLITE TOBACCO RINGSPOT VIRUS

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RNA chain / Protein , 2 types, 4 molecules BECF

#3: RNA chain RNA HAIRPIN RIBOZYME


Mass: 29809.795 Da / Num. of mol.: 2 / Source method: obtained synthetically
Details: THIS SEQUENCE OCCURS NATURALLY IN SATELLITE TOBACCO RINGSPOT VIRUS
#4: Protein U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A / U1 snRNP A protein / U1 snRNP-specific protein A


Mass: 11498.472 Da / Num. of mol.: 2 / Fragment: U1A RNA BINDING DOMAIN / Mutation: Y31H,Q36R
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: SNRPA / Production host: Escherichia coli (E. coli) / References: UniProt: P09012

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Non-polymers , 2 types, 71 molecules

#5: Chemical...
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 26 / Source method: obtained synthetically / Formula: Ca
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 45 / 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: 2.95 Å3/Da / Density % sol: 58.26 %
Crystal growTemperature: 300 K / Method: vapor diffusion, sitting drop / pH: 5
Details: MPD, calcium Chloride, ammonium chloride, meta-ammonium vanadate, pH 5.0, VAPOR DIFFUSION, SITTING DROP at 300K
Components of the solutions
IDNameCrystal-IDSol-ID
1CaCl211
2NH4Cl11
3meta-ammonium vanadate11
4MPD11
5CaCl212
6NH4Cl12
7MPD12

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Data collection

DiffractionMean temperature: 150 K
Diffraction sourceSource: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 Å
DetectorType: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Dec 12, 2001 / Details: Osmic mirrors
RadiationMonochromator: osmic mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.5418 Å / Relative weight: 1
ReflectionResolution: 2.6→30 Å / Num. all: 34446 / Num. obs: 34446 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.3 % / Biso Wilson estimate: 70.9 Å2 / Rsym value: 0.066 / Net I/σ(I): 22
Reflection shellResolution: 2.6→2.69 Å / Mean I/σ(I) obs: 1.7 / Num. unique all: 3285 / Rsym value: 0.608 / % possible all: 96.4

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Processing

Software
NameClassification
CNSrefinement
DENZOdata reduction
SCALEPACKdata scaling
CNSphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 1HP6

1hp6
PDB Unreleased entry


Resolution: 2.6→27.7 Å / Rfactor Rfree error: 0.005 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0
Stereochemistry target values: Engh & Huber, Parkinson et al.
RfactorNum. reflection% reflectionSelection details
Rfree0.28 3464 10.1 %RANDOM
Rwork0.223 ---
obs0.223 34442 98.4 %-
all-34442 --
Solvent computationSolvent model: FLAT MODEL / Bsol: 45.1814 Å2 / ksol: 0.273454 e/Å3
Displacement parametersBiso mean: 93.7 Å2
Baniso -1Baniso -2Baniso -3
1--2.44 Å20 Å222.25 Å2
2--3.96 Å20 Å2
3----1.52 Å2
Refine analyzeLuzzati coordinate error free: 0.54 Å / Luzzati sigma a free: 0.63 Å
Refinement stepCycle: LAST / Resolution: 2.6→27.7 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms1498 4812 26 45 6381
Refine LS restraints
Refine-IDTypeDev idealDev ideal target
X-RAY DIFFRACTIONc_bond_d0.006
X-RAY DIFFRACTIONc_angle_deg1.2
X-RAY DIFFRACTIONc_dihedral_angle_d18.5
X-RAY DIFFRACTIONc_improper_angle_d1.65
X-RAY DIFFRACTIONc_mcbond_it4.143
X-RAY DIFFRACTIONc_mcangle_it5.514
X-RAY DIFFRACTIONc_scbond_it9.936
X-RAY DIFFRACTIONc_scangle_it12.098
LS refinement shellResolution: 2.6→2.76 Å / Rfactor Rfree error: 0.021 / Total num. of bins used: 6
RfactorNum. reflection% reflection
Rfree0.482 535 9.7 %
Rwork0.442 4968 -
obs--95.1 %
Xplor file
Refine-IDSerial noParam fileTopol file
X-RAY DIFFRACTION1PROTEIN_REP.PARAMPROTEIN.TOP
X-RAY DIFFRACTION2WATER_REP.PARAMDNA_RNA_NEW.
X-RAY DIFFRACTION3DNA-RNA_REPDWATER.TOP
X-RAY DIFFRACTION4ION.PARAMION.TOP

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