[English] 日本語
Yorodumi
- PDB-3pig: beta-fructofuranosidase from Bifidobacterium longum -

+
Open data


ID or keywords:

Loading...

-
Basic information

Entry
Database: PDB / ID: 3pig
Titlebeta-fructofuranosidase from Bifidobacterium longum
ComponentsBeta-fructofuranosidase
KeywordsHYDROLASE / five-bladed beta-propeller and beta-sandwich domains / glycoside hydrolase family 32 / PROBIOTIC BACTERIA
Function / homology
Function and homology information


beta-fructofuranosidase / hydrolase activity, hydrolyzing O-glycosyl compounds / carbohydrate metabolic process
Similarity search - Function
Glycosyl hydrolase family 32, C-terminal / Glycosyl hydrolases family 32 C terminal / Exo-inulinase; domain 1 / Glycoside hydrolase, family 32 / Glycosyl hydrolase family 32, N-terminal / Glycosyl hydrolases family 32 N-terminal domain / Glycosyl hydrolases family 32 / Glycosyl hydrolase domain; family 43 / 5 Propeller / Tachylectin-2; Chain A ...Glycosyl hydrolase family 32, C-terminal / Glycosyl hydrolases family 32 C terminal / Exo-inulinase; domain 1 / Glycoside hydrolase, family 32 / Glycosyl hydrolase family 32, N-terminal / Glycosyl hydrolases family 32 N-terminal domain / Glycosyl hydrolases family 32 / Glycosyl hydrolase domain; family 43 / 5 Propeller / Tachylectin-2; Chain A / Glycosyl hydrolase, five-bladed beta-propellor domain superfamily / Concanavalin A-like lectin/glucanase domain superfamily / Jelly Rolls / Sandwich / Mainly Beta
Similarity search - Domain/homology
beta-fructofuranosidase
Similarity search - Component
Biological speciesBifidobacterium longum (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.87 Å
AuthorsBujacz, A. / Bujacz, G. / Redzynia, I. / Krzepkowska-Jedrzejczak, M. / Bielecki, S.
CitationJournal: Febs J. / Year: 2011
Title: Crystal structures of the apo form of beta-fructofuranosidase from Bifidobacterium longum and its complex with fructose
Authors: Bujacz, A. / Jedrzejczak-Krzepkowska, M. / Bielecki, S. / Redzynia, I. / Bujacz, G.
History
DepositionNov 6, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 27, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Jan 24, 2018Group: Structure summary / Category: audit_author / Item: _audit_author.name
Revision 1.3Sep 6, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / 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 / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

-
Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

-
Assembly

Deposited unit
A: Beta-fructofuranosidase
B: Beta-fructofuranosidase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)118,5448
Polymers118,3322
Non-polymers2136
Water21,0241167
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3590 Å2
ΔGint-54 kcal/mol
Surface area36870 Å2
MethodPISA
Unit cell
Length a, b, c (Å)87.117, 87.117, 223.942
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number152
Space group name H-MP3121

-
Components

#1: Protein Beta-fructofuranosidase


Mass: 59165.793 Da / Num. of mol.: 2 / Fragment: fructofuranosidase
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bifidobacterium longum (bacteria) / Strain: KN29.1 / Gene: EF216677 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 Star / References: UniProt: A2TLS9, beta-fructofuranosidase
#2: Chemical
ChemComp-CL / CHLORIDE ION


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


Mass: 18.015 Da / Num. of mol.: 1167 / Source method: isolated from a natural source / Formula: H2O

-
Experimental details

-
Experiment

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

-
Sample preparation

CrystalDensity Matthews: 2.07 Å3/Da / Density % sol: 40.67 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 0.4M ammonium chloride, 18% PEG 3350, 0.1M MES pH 7.0, protein concentration 11 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 293K

-
Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: BESSY / Beamline: 14.2 / Wavelength: 0.9184 Å
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: May 21, 2009 / Details: mirrors
RadiationMonochromator: Double crystal monochromator Si 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9184 Å / Relative weight: 1
ReflectionResolution: 1.87→40 Å / Num. obs: 81348 / % possible obs: 98.6 % / Observed criterion σ(F): -1.73 / Observed criterion σ(I): -3 / Redundancy: 6.1 % / Biso Wilson estimate: 21.6 Å2 / Rmerge(I) obs: 0.09 / Net I/σ(I): 19.19
Reflection shellResolution: 1.87→1.94 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.445 / Mean I/σ(I) obs: 2 / Num. unique all: 7152 / % possible all: 87.3

-
Processing

Software
NameVersionClassification
HKL-2000data collection
PHASERphasing
REFMAC5.5.0091refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1W2T and 1Y4W
Resolution: 1.87→75.45 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.952 / SU B: 4.266 / SU ML: 0.058 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.13 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.19866 1622 2 %RANDOM
Rwork0.14889 ---
all0.14989 81348 --
obs0.14989 79656 98.58 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 24.469 Å2
Baniso -1Baniso -2Baniso -3
1-0.05 Å20.03 Å20 Å2
2--0.05 Å20 Å2
3----0.08 Å2
Refinement stepCycle: LAST / Resolution: 1.87→75.45 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8295 0 6 1167 9468
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.020.0218616
X-RAY DIFFRACTIONr_angle_refined_deg1.6871.92711717
X-RAY DIFFRACTIONr_dihedral_angle_1_deg7.45251065
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.63224.161435
X-RAY DIFFRACTIONr_dihedral_angle_3_deg13.492151368
X-RAY DIFFRACTIONr_dihedral_angle_4_deg16.2321549
X-RAY DIFFRACTIONr_chiral_restr0.1290.21193
X-RAY DIFFRACTIONr_gen_planes_refined0.0090.0216805
X-RAY DIFFRACTIONr_mcbond_it0.891.55232
X-RAY DIFFRACTIONr_mcangle_it1.3828410
X-RAY DIFFRACTIONr_scbond_it2.45933384
X-RAY DIFFRACTIONr_scangle_it3.4064.53299
LS refinement shellResolution: 1.869→1.918 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.306 106 -
Rwork0.244 4932 -
obs--83.6 %
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
13.46520.8259-2.74410.3941-0.33532.69550.42670.22940.70030.0177-0.12090.3095-0.4966-0.4902-0.30580.32340.0638-0.02020.2892-0.04420.271630.733769.7892104.8942
28.26154.79550.86074.73810.0571.21520.1271-0.22160.19840.2056-0.14710.0833-0.0774-0.01950.01990.0940.02520.02730.0887-0.01170.038726.379559.8123110.089
30.7170.33650.4324.1823.59415.15870.0254-0.0973-0.0630.2281-0.02830.22460.2567-0.19480.00290.0355-0.01350.02560.08790.04310.065217.290138.361699.6161
43.05480.3402-0.24082.65620.77023.78230.0473-0.0236-0.2284-0.0252-0.00240.02260.2635-0.0452-0.04490.0228-0.0036-0.00970.00690.00850.02524.973732.05182.2837
53.2136-0.16010.83681.0959-0.44761.3996-0.0157-0.06320.05410.05440.0128-0.0425-0.02610.01080.00290.0076-0.00510.0030.0093-0.00840.008532.047942.568693.3614
60.179-0.6514-0.25672.59291.65285.1893-0.0139-0.0332-0.09550.0033-0.00020.4066-0.1905-0.49940.01410.01350.01870.00680.10670.00470.105315.270945.344790.6073
73.7001-2.5434-1.41594.41461.19021.3509-0.0441-0.0688-0.18480.16910.03960.00620.18620.05970.00450.03990.0023-0.01610.04260.00770.019732.361636.836995.23
83.3686-0.63020.14321.8410.19141.570.0289-0.01850.09780.10340.0097-0.0857-0.09680.0212-0.03860.0389-0.00160.01810.0016-0.00110.021630.405753.3053100.3315
97.283-1.04520.65787.54231.19366.86090.01760.45950.0544-0.2652-0.01650.53480.1396-0.3585-0.00110.08840.03430.00350.11780.01570.160313.155160.581791.82
101.5111-0.6740.12162.3611-0.40471.3221-0.0007-0.03410.07590.10390.07360.0754-0.1464-0.0863-0.07290.0296-0.00190.02560.0509-0.01810.031729.014856.796599.6433
112.5473-0.51910.97592.0088-0.47042.3922-0.03850.02760.13190.1366-0.0061-0.0709-0.23390.10630.04450.0662-0.02190.04180.0333-0.01610.064838.101863.965791.9167
121.4093-0.41220.53574.8445-2.84137.60710.06410.04890.17890.458-0.1755-0.3976-0.39820.50050.11140.0768-0.02790.00960.103-0.04130.126940.300564.4788103.1448
132.3686-0.24480.92092.0377-0.20292.9054-0.05060.14970.175-0.1712-0.0052-0.0196-0.27970.02580.05580.07830.01340.04330.04890.00520.095333.401465.87282.071
145.7791-1.7848-0.71361.4782-0.20521.24640.0181-0.15430.09350.0039-0.0002-0.14720.00750.1759-0.01790.0668-0.01160.01430.0505-0.01750.070446.494556.700481.9319
151.7240.15240.4351.69610.6912.82960.07310.1460.1806-0.2188-0.06760.048-0.2806-0.1642-0.00550.05550.02590.01640.0410.01350.040830.058756.008170.2504
162.46481.37431.6932.65851.61475.738-0.0968-0.00580.1669-0.19430.1374-0.0626-0.61780.2455-0.04060.0791-0.0160.03070.06520.00670.128346.352764.784381.3011
170.66910.24260.23581.1278-0.19931.56870.0047-0.09620.04160.0248-0.031-0.0990.01880.07720.02640.00590.00220.00310.0323-0.00710.021937.669947.973781.6317
180.39210.1559-0.46792.5368-2.54322.82010.01820.09880.0205-0.03620.15120.19090.0093-0.2487-0.16940.010.0074-0.0210.0658-0.02110.083617.880741.711578.1987
193.87192.0702-1.40842.389-0.50381.3385-0.03330.1211-0.0546-0.15280.0145-0.18630.09210.19450.01880.02890.03810.02090.08510.01380.021144.298645.42677.3742
204.82083.23692.43747.48555.31645.72660.15280.0375-0.3020.0806-0.0896-0.33570.35060.1126-0.06320.07760.044-0.00230.08230.03130.064943.407728.682579.698
210.585-0.1921-0.18620.61170.0641.20220.01390.0931-0.0914-0.06460.0035-0.04010.13080.0901-0.01730.02450.0117-0.0030.0524-0.00320.046935.287535.695463.3284
224.15112.56611.26554.46521.60910.63570.15110.2956-0.40960.2258-0.28050.74230.1407-0.06930.12940.2978-0.064-0.01690.3007-0.08840.429627.801824.606685.333
231.55530.3842-1.66880.0986-0.41091.79190.0872-0.1252-0.02520.0153-0.0658-0.0416-0.12240.1476-0.02130.3644-0.01240.02870.3272-0.00870.381544.231954.57547.7223
240.91191.68940.16067.4778-1.7721.0959-0.13760.08420.04650.05480.0863-0.1146-0.12140.0150.05130.16430.01340.01640.184-0.00740.131435.867345.5632.61
251.68440.6878-2.0251.1691-0.68173.4175-0.10560.1477-0.1507-0.20760.0049-0.03790.2673-0.01510.10070.12640.0338-0.02020.125-0.03040.111822.422528.499116.2421
261.301-0.8227-0.55392.9514-0.04672.42610.06510.0942-0.12760.0102-0.08730.15680.1759-0.16510.02220.0409-0.0031-0.02410.0541-0.01540.034615.214433.949634.08
271.6941-1.20430.55113.0663-1.04521.37120.03340.09340.0806-0.10140.0111-0.0324-0.0077-0.0076-0.04460.06360.03390.02160.0723-0.0040.023719.968544.394821.4548
284.70811.4914-2.26995.0965-1.38522.22070.1221-0.0968-0.13160.1115-0.0883-0.4048-0.03580.3219-0.03370.10380.0707-0.0090.1169-0.03560.08930.812331.571524.6479
294.2434-1.483-1.45181.95131.19941.68850.07540.1909-0.1176-0.1101-0.04410.17720.0313-0.1951-0.03130.09980.0482-0.02470.09750.02340.038714.875741.508820.2419
301.09340.07030.10751.6713-0.12920.82830.02570.16770.0289-0.13020.0172-0.0554-0.06720.0668-0.04290.12980.03330.04880.1583-0.02430.071329.584346.735712.9523
311.98560.17350.11277.96291.03093.96550.0345-0.13-0.11750.1358-0.0854-0.09410.0072-0.14110.05090.18080.04270.02540.1907-0.01640.23345.079835.822720.6894
321.5674-0.1793-0.04221.12530.00131.1651-0.02210.2340.0229-0.1180.0743-0.1261-0.11290.2194-0.05210.14740.03710.06360.1448-0.00880.102633.976347.332413.2874
331.8065-0.11141.2182.235-0.35772.23150.00780.06780.0666-0.10890.0633-0.0316-0.11070.1662-0.07110.13190.00080.08030.15670.00330.089836.345459.13119.3471
344.5323-0.2041.91331.4994-0.27123.3825-0.21340.14740.1278-0.20260.1404-0.0059-0.310.19920.07290.2316-0.00040.05480.17650.01050.144434.445660.1438.4011
351.8077-0.20811.59421.935-0.84951.8642-0.0402-0.02390.05640.0939-0.0576-0.1746-0.14010.18840.09780.1388-0.00270.04970.2162-0.02680.135241.35956.871828.9508
361.8193-0.8965-0.13772.70990.21381.29050.026-0.00730.1771-0.20240.02360.0451-0.1923-0.0207-0.04960.1401-0.01770.03970.13810.02130.098326.900263.559629.9309
371.1069-0.05190.44820.5029-0.99352.12420.05990.06240.11560.0563-0.1373-0.0592-0.10950.35330.07740.0364-0.00460.03740.1367-0.04730.144135.33350.626442.091
380.98930.37360.80311.1965-1.35113.89880.03780.08330.09480.0413-0.1392-0.0889-0.35210.47530.10140.1982-0.03470.06260.16350.00520.160134.617967.814629.5476
390.68590.30840.17330.68860.32990.89690.02560.13470.1349-0.1144-0.0440.0413-0.08790.08880.01850.04970.02820.02940.07140.02760.052723.998152.245732.0023
401.50750.89021.2041.70950.48821.08330.12770.0347-0.18860.007-0.0023-0.1560.19110.1182-0.12540.08950.07460.00750.1164-0.00180.071427.231832.352536.5323
410.89361.20040.30034.61590.63941.4240.0643-0.07680.23790.1022-0.06860.1195-0.1467-0.09180.00420.03650.03020.03630.08330.01440.095318.711857.230136.0399
425.09594.3622-4.20834.737-2.56296.51020.10390.03270.35010.01410.04430.3663-0.1602-0.2209-0.14820.04240.0317-0.02270.10620.02490.10164.138949.107935.9776
431.14860.06230.14740.51460.25851.2740.0254-0.03070.04960.0507-0.00390.0847-0.0327-0.0847-0.02150.01860.00770.00770.02750.020.040615.365446.681651.4041
440.03710.29010.11183.20221.17810.43820.053-0.0422-0.01950.2252-0.14350.21450.1028-0.08020.09050.19950.0076-0.00130.20780.01730.22467.668528.685728.9076
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 6
2X-RAY DIFFRACTION2A7 - 14
3X-RAY DIFFRACTION3A15 - 35
4X-RAY DIFFRACTION4A36 - 49
5X-RAY DIFFRACTION5A50 - 73
6X-RAY DIFFRACTION6A74 - 81
7X-RAY DIFFRACTION7A82 - 102
8X-RAY DIFFRACTION8A103 - 133
9X-RAY DIFFRACTION9A134 - 144
10X-RAY DIFFRACTION10A145 - 182
11X-RAY DIFFRACTION11A183 - 210
12X-RAY DIFFRACTION12A211 - 219
13X-RAY DIFFRACTION13A220 - 236
14X-RAY DIFFRACTION14A237 - 259
15X-RAY DIFFRACTION15A260 - 275
16X-RAY DIFFRACTION16A276 - 291
17X-RAY DIFFRACTION17A292 - 319
18X-RAY DIFFRACTION18A320 - 335
19X-RAY DIFFRACTION19A336 - 356
20X-RAY DIFFRACTION20A357 - 365
21X-RAY DIFFRACTION21A366 - 513
22X-RAY DIFFRACTION22A514 - 523
23X-RAY DIFFRACTION23B1 - 6
24X-RAY DIFFRACTION24B7 - 14
25X-RAY DIFFRACTION25B15 - 35
26X-RAY DIFFRACTION26B36 - 49
27X-RAY DIFFRACTION27B50 - 73
28X-RAY DIFFRACTION28B74 - 81
29X-RAY DIFFRACTION29B82 - 102
30X-RAY DIFFRACTION30B103 - 133
31X-RAY DIFFRACTION31B134 - 144
32X-RAY DIFFRACTION32B145 - 182
33X-RAY DIFFRACTION33B183 - 210
34X-RAY DIFFRACTION34B211 - 219
35X-RAY DIFFRACTION35B220 - 236
36X-RAY DIFFRACTION36B237 - 259
37X-RAY DIFFRACTION37B260 - 275
38X-RAY DIFFRACTION38B276 - 291
39X-RAY DIFFRACTION39B292 - 319
40X-RAY DIFFRACTION40B320 - 335
41X-RAY DIFFRACTION41B336 - 356
42X-RAY DIFFRACTION42B357 - 365
43X-RAY DIFFRACTION43B366 - 513
44X-RAY DIFFRACTION44B514 - 526

+
About Yorodumi

-
News

-
Feb 9, 2022. New format data for meta-information of EMDB entries

New format data for meta-information of EMDB entries

  • Version 3 of the EMDB header file is now the official format.
  • The previous official version 1.9 will be removed from the archive.

Related info.:EMDB header

External links:wwPDB to switch to version 3 of the EMDB data model

-
Aug 12, 2020. Covid-19 info

Covid-19 info

URL: https://pdbjlvh1.pdbj.org/emnavi/covid19.php

New page: Covid-19 featured information page in EM Navigator.

Related info.:Covid-19 info / Mar 5, 2020. Novel coronavirus structure data

+
Mar 5, 2020. Novel coronavirus structure data

Novel coronavirus structure data

Related info.:Yorodumi Speices / Aug 12, 2020. Covid-19 info

External links:COVID-19 featured content - PDBj / Molecule of the Month (242):Coronavirus Proteases

+
Jan 31, 2019. EMDB accession codes are about to change! (news from PDBe EMDB page)

EMDB accession codes are about to change! (news from PDBe EMDB page)

  • The allocation of 4 digits for EMDB accession codes will soon come to an end. Whilst these codes will remain in use, new EMDB accession codes will include an additional digit and will expand incrementally as the available range of codes is exhausted. The current 4-digit format prefixed with “EMD-” (i.e. EMD-XXXX) will advance to a 5-digit format (i.e. EMD-XXXXX), and so on. It is currently estimated that the 4-digit codes will be depleted around Spring 2019, at which point the 5-digit format will come into force.
  • The EM Navigator/Yorodumi systems omit the EMD- prefix.

Related info.:Q: What is EMD? / ID/Accession-code notation in Yorodumi/EM Navigator

External links:EMDB Accession Codes are Changing Soon! / Contact to PDBj

+
Jul 12, 2017. Major update of PDB

Major update of PDB

  • wwPDB released updated PDB data conforming to the new PDBx/mmCIF dictionary.
  • This is a major update changing the version number from 4 to 5, and with Remediation, in which all the entries are updated.
  • In this update, many items about electron microscopy experimental information are reorganized (e.g. em_software).
  • Now, EM Navigator and Yorodumi are based on the updated data.

External links:wwPDB Remediation / Enriched Model Files Conforming to OneDep Data Standards Now Available in the PDB FTP Archive

-
Yorodumi

Thousand views of thousand structures

  • Yorodumi is a browser for structure data from EMDB, PDB, SASBDB, etc.
  • This page is also the successor to EM Navigator detail page, and also detail information page/front-end page for Omokage search.
  • The word "yorodu" (or yorozu) is an old Japanese word meaning "ten thousand". "mi" (miru) is to see.

Related info.:EMDB / PDB / SASBDB / Comparison of 3 databanks / Yorodumi Search / Aug 31, 2016. New EM Navigator & Yorodumi / Yorodumi Papers / Jmol/JSmol / Function and homology information / Changes in new EM Navigator and Yorodumi

Read more