[English] 日本語
Yorodumi
- PDB-2z2o: Crystal Structure of apo virginiamycin B lyase from Staphylococcu... -

+
Open data


ID or keywords:

Loading...

-
Basic information

Entry
Database: PDB / ID: 2z2o
TitleCrystal Structure of apo virginiamycin B lyase from Staphylococcus aureus
Componentsvirginiamycin B lyase
KeywordsLYASE / seven-bladed beta-propeller / antibiotic resistance / enzyme mechanism / virginiamycin B lyase / virginiamycin B hydrolase / streptogramin
Function / homology
Function and homology information


carbon-oxygen lyase activity / Lyases; Carbon-oxygen lyases; Other carbon-oxygen lyases / antibiotic catabolic process / response to antibiotic / magnesium ion binding
Similarity search - Function
Streptogramin lyase / YVTN repeat-like/Quinoprotein amine dehydrogenase / 7 Propeller / Methylamine Dehydrogenase; Chain H / WD40/YVTN repeat-like-containing domain superfamily / Mainly Beta
Similarity search - Domain/homology
Virginiamycin B lyase / Virginiamycin B lyase
Similarity search - Component
Biological speciesStaphylococcus aureus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å
AuthorsKorczynska, M. / Berghuis, A.M.
CitationJournal: Proc.Natl.Acad.Sci.Usa / Year: 2007
Title: Structural basis for streptogramin B resistance in Staphylococcus aureus by virginiamycin B lyase
Authors: Korczynska, M. / Mukhtar, T.A. / Wright, G.D. / Berghuis, A.M.
History
DepositionMay 25, 2007Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jun 19, 2007Provider: repository / Type: Initial release
Revision 1.1Nov 20, 2007Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Advisory / Refinement description / Version format compliance
Revision 1.3Nov 1, 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_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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: virginiamycin B lyase
B: virginiamycin B lyase
C: virginiamycin B lyase
D: virginiamycin B lyase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)132,5069
Polymers132,3294
Non-polymers1775
Water19,5101083
1
A: virginiamycin B lyase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)33,1182
Polymers33,0821
Non-polymers351
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: virginiamycin B lyase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)33,1182
Polymers33,0821
Non-polymers351
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: virginiamycin B lyase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)33,1182
Polymers33,0821
Non-polymers351
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: virginiamycin B lyase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)33,1533
Polymers33,0821
Non-polymers712
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)73.543, 79.231, 188.168
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

-
Components

#1: Protein
virginiamycin B lyase / Vgh protein / Hydrolase VgB


Mass: 33082.285 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus (bacteria) / Strain: BM30002, pIP524 / Gene: vgb, vgh / Plasmid: pET15b / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)
References: UniProt: Q53744, UniProt: P17978*PLUS, Lyases; Carbon-oxygen lyases; Other carbon-oxygen lyases, Isomerases; Intramolecular lyases
#2: Chemical
ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Cl
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1083 / Source method: isolated from a natural source / Formula: H2O
Sequence detailsTHIS SEQUENCE DERIVES FROM THE ORIGINAL GENE.

-
Experimental details

-
Experiment

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

-
Sample preparation

CrystalDensity Matthews: 2.07 Å3/Da / Density % sol: 40.59 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: 50mM acetate buffer (pH 4.6), 25%(w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

-
Data collection

DiffractionMean temperature: 95 K
Diffraction sourceSource: SYNCHROTRON / Site: NSLS / Beamline: X8C / Wavelength: 1.0999 Å
DetectorType: ADSC QUANTUM 4 / Detector: CCD / Date: Feb 1, 2005
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0999 Å / Relative weight: 1
ReflectionResolution: 1.9→50 Å / Num. obs: 86401 / % possible obs: 98.9 % / Redundancy: 4.5 % / Rsym value: 0.081 / Net I/σ(I): 19.4
Reflection shellResolution: 1.9→1.97 Å / Redundancy: 3.1 % / Mean I/σ(I) obs: 3.5 / Rsym value: 0.461 / % possible all: 93.9

-
Processing

Software
NameVersionClassification
REFMAC5.2.0005refinement
HKL-2000data collection
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 2Z2N
Resolution: 1.9→19.89 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.944 / SU B: 5.941 / SU ML: 0.09 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.146 / ESU R Free: 0.142 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: The structure was refined also with CNS.
RfactorNum. reflection% reflectionSelection details
Rfree0.19902 8108 9.3 %RANDOM
Rwork0.14029 ---
obs0.14603 78962 99.74 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 21.662 Å2
Baniso -1Baniso -2Baniso -3
1-0 Å20 Å20 Å2
2---0.01 Å20 Å2
3---0.01 Å2
Refinement stepCycle: LAST / Resolution: 1.9→19.89 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9210 0 5 1083 10298
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0220.0229566
X-RAY DIFFRACTIONr_bond_other_d0.0010.028512
X-RAY DIFFRACTIONr_angle_refined_deg1.8431.95313041
X-RAY DIFFRACTIONr_angle_other_deg0.963320032
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.49851234
X-RAY DIFFRACTIONr_dihedral_angle_2_deg37.37125.625416
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.234151641
X-RAY DIFFRACTIONr_dihedral_angle_4_deg19.31533
X-RAY DIFFRACTIONr_chiral_restr0.130.21443
X-RAY DIFFRACTIONr_gen_planes_refined0.0080.0210692
X-RAY DIFFRACTIONr_gen_planes_other0.0010.021785
X-RAY DIFFRACTIONr_nbd_refined0.2150.21819
X-RAY DIFFRACTIONr_nbd_other0.1990.28805
X-RAY DIFFRACTIONr_nbtor_refined0.1760.24725
X-RAY DIFFRACTIONr_nbtor_other0.0870.25648
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.2050.2860
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.2470.257
X-RAY DIFFRACTIONr_symmetry_vdw_other0.2450.2148
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.2420.259
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it1.2271.56175
X-RAY DIFFRACTIONr_mcbond_other0.3581.52454
X-RAY DIFFRACTIONr_mcangle_it1.84129717
X-RAY DIFFRACTIONr_scbond_it2.96134010
X-RAY DIFFRACTIONr_scangle_it4.294.53298
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 1.9→2.002 Å / Total num. of bins used: 10
RfactorNum. reflection% reflection
Rfree0.247 603 -
Rwork0.177 11705 -
obs--98.51 %
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)
12.5576-1.1582-1.88036.8124.18283.7309-0.1116-0.0703-0.31031.0084-0.22060.47730.64660.09240.33220.1576-0.04540.0554-0.12310.0385-0.0345-6.9657-9.0263-28.2911
21.239-0.4442-0.59221.7968-0.15631.6404-0.0511-0.0706-0.11310.02660.01060.21430.0595-0.07870.0405-0.0359-0.01690.009-0.0706-0.00420.0198-8.5289-5.1829-41.3417
31.64360.644-0.81461.5508-0.23591.2231-0.04780.0628-0.0206-0.16130.01190.13150.0988-0.0860.0359-0.02170.0005-0.0186-0.057-0.0108-0.014-5.9272.7186-50.8484
41.02140.25670.1191.17530.6890.923-0.02980.02990.0349-0.07180.01730.0323-0.0264-0.00110.0125-0.02380.003-0.0004-0.06690.0098-0.0121-1.000114.187-49.636
51.0022-0.07620.58331.0861-0.1831.3535-0.0243-0.0410.04880.01780.02630.0359-0.0958-0.0047-0.002-0.02480.0060.0124-0.0643-0.014-0.01060.801520.193-38.9957
61.044-0.52190.39891.3522-0.45051.2885-0.0171-0.04930.0810.0807-0.0019-0.0345-0.07040.04710.019-0.01660.02390.0065-0.0408-0.022-0.03740.392616.1412-27.5245
72.68-0.92580.23032.94821.08041.2333-0.0943-0.1569-0.08720.26340.05110.04090.1933-0.12250.0433-0.0050.02380.0348-0.03680.019-0.0568-3.10255.4688-22.8508
82.2071-0.5379-0.62625.99152.7213.9206-0.0258-0.17140.02110.7131-0.13460.17960.3887-0.22510.16050.03-0.05120.0757-0.0335-0.0104-0.0541-8.7979-1.2141-27.6132
911.36030.7324-6.03443.2954-0.89229.5077-0.5115-0.8845-0.55640.47180.1009-0.36910.78590.9180.41060.0630.1994-0.0469-0.04530.0822-0.1871-23.130515.6986-1.3212
101.33810.29030.29480.9398-0.46211.8693-0.0296-0.1485-0.0406-0.018-0.0603-0.04940.2370.09280.0898-0.03220.03840.0239-0.04830.0133-0.0275-25.641616.3644-15.177
110.680.15310.10061.7111-0.33111.03120.00310.0527-0.0748-0.0501-0.0233-0.03880.1218-0.01130.0202-0.0236-0.0010.0091-0.03190.0105-0.0245-30.462922.8251-24.806
120.5242-0.1397-0.22451.49630.42481.1147-0.01230.03360.0374-0.0758-0.010.0134-0.02-0.1130.0223-0.0370.0042-0.0106-0.02770.0195-0.0385-37.57133.1359-24.0324
131.4367-0.05820.16140.96310.43062.1102-0.01270.00180.05280.03930.01460.0321-0.0773-0.1719-0.0019-0.04940.0295-0.0006-0.0360.0186-0.0265-41.888738.2738-13.7057
141.8833-0.2161.13571.46860.12172.3178-0.0661-0.04740.16980.12270.0718-0.0278-0.1412-0.1813-0.0057-0.0290.02280.0094-0.0307-0.0161-0.0469-39.253535.8277-2.0323
152.1354-0.87170.15131.52870.27332.0105-0.1551-0.23560.01230.15870.103-0.09610.10730.01940.0521-0.01630.02-0.00880.00230.0007-0.0777-32.780326.99693.1226
165.9187-0.6941-21.58890.42393.2045-0.1506-0.2932-0.15570.29150.14120.11790.35690.13860.00940.01960.02990.0109-0.03330.0439-0.0701-30.269318.3515-1.5537
1711.1805-8.362310.960110.4934-9.200812.02230.36261.1626-0.1939-0.3168-0.51010.07460.19371.09020.1475-0.03930.070.04310.0545-0.0952-0.17948.11225.3225-101.0405
182.3446-0.84361.19253.1133-1.77313.45060.08940.4413-0.0229-0.0685-0.137-0.05590.01870.41580.0477-0.08090.02060.01080.0206-0.0193-0.056116.86686.1826-89.612
192.35490.0978-1.06161.1082-0.89712.00920.0562-0.01260.0039-0.0122-0.1126-0.1199-0.04890.23760.0564-0.05230.0051-0.0206-0.0390.0098-0.012918.13427.2791-77.1629
202.42650.6933-0.93681.1771-0.53471.93760.0831-0.1066-0.0148-0.0148-0.073-0.0161-0.07390.1242-0.01-0.0252-0.0014-0.0194-0.05030.0021-0.03838.7048.9148-69.0626
211.37450.16480.19181.06610.25141.75860.0808-0.0052-0.01320.0127-0.0313-0.0554-0.1651-0.2274-0.0495-0.0330.0296-0.0103-0.03090.0073-0.0392-3.075411.2842-71.8911
221.1460.43720.06481.87270.16122.95780.12210.1058-0.0175-0.0123-0.015-0.0218-0.1421-0.5393-0.1071-0.06230.0682-0.04850.03840.0007-0.0538-8.835910.5644-82.6276
232.0576-0.5586-0.44343.02870.80843.8370.05340.1503-0.0418-0.1789-0.00960.1508-0.1186-0.4901-0.0438-0.02790.0568-0.05420.0099-0.0124-0.0868-4.58648.4398-93.782
244.7321-1.71511.34447.0739-2.3154.11840.21690.488-0.0458-0.3178-0.18140.1863-0.17160.0725-0.0355-0.01320.0485-0.0147-0.0042-0.0219-0.1045.12579.7081-96.7319
2520.281-4.469215.27151.6816-3.389511.5002-0.1495-1.1371-0.15020.23550.24150.1507-0.0252-0.8692-0.092-0.0750.07850.07120.15620.0696-0.114625.1332-5.1387-18.5367
263.35570.66631.47070.3461-0.04123.2366-0.1362-0.30850.06210.0256-0.02210.075-0.1916-0.1240.1583-0.06370.0716-0.0184-0.0015-0.0448-0.039320.8882.9797-30.0956
271.4054-0.12350.26572.08151.52792.1187-0.0732-0.10930.1142-0.06440.02290.0864-0.1883-0.15690.0503-0.03920.0402-0.0374-0.0322-0.0249-0.020321.02255.0954-42.547
281.101-1.2477-0.41941.87490.7951.90890.0105-0.03610.0645-0.1531-0.013-0.0142-0.10920.01010.0025-0.02390.0045-0.0139-0.0491-0.0131-0.035827.5251-1.6918-50.8063
291.1033-0.3924-0.46891.055-0.10691.6415-0.0507-0.08770.02510.00830.08460.0260.15340.2979-0.034-0.02770.0489-0.0192-0.0101-0.02-0.048835.8777-10.3463-48.2196
301.08010.2901-0.90511.912-0.8243.0754-0.1295-0.1432-0.02070.05310.14920.02290.47380.5334-0.0197-0.00610.1518-0.01730.04670.0226-0.082138.542-15.8888-37.6829
313.1084-0.1959-0.80872.4156-0.09782.4269-0.205-0.3756-0.09710.2250.20850.13240.39840.3933-0.0035-0.00490.13640.01160.07240.0447-0.097734.9617-13.8903-26.3088
324.9284-1.25362.87361.4356-0.83443.3732-0.1091-0.4476-0.16060.11360.10610.0645-0.1704-0.19310.003-0.05650.06090.00530.05670.025-0.091230.5038-5.132-23.2533
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A2 - 16
2X-RAY DIFFRACTION2A17 - 59
3X-RAY DIFFRACTION3A60 - 101
4X-RAY DIFFRACTION4A102 - 143
5X-RAY DIFFRACTION5A144 - 185
6X-RAY DIFFRACTION6A186 - 227
7X-RAY DIFFRACTION7A228 - 269
8X-RAY DIFFRACTION8A270 - 294
9X-RAY DIFFRACTION9B2 - 16
10X-RAY DIFFRACTION10B17 - 59
11X-RAY DIFFRACTION11B60 - 101
12X-RAY DIFFRACTION12B102 - 143
13X-RAY DIFFRACTION13B144 - 185
14X-RAY DIFFRACTION14B186 - 227
15X-RAY DIFFRACTION15B228 - 269
16X-RAY DIFFRACTION16B270 - 294
17X-RAY DIFFRACTION17C1 - 16
18X-RAY DIFFRACTION18C17 - 59
19X-RAY DIFFRACTION19C60 - 101
20X-RAY DIFFRACTION20C102 - 143
21X-RAY DIFFRACTION21C144 - 185
22X-RAY DIFFRACTION22C186 - 227
23X-RAY DIFFRACTION23C228 - 269
24X-RAY DIFFRACTION24C270 - 294
25X-RAY DIFFRACTION25D1 - 16
26X-RAY DIFFRACTION26D17 - 59
27X-RAY DIFFRACTION27D60 - 101
28X-RAY DIFFRACTION28D102 - 143
29X-RAY DIFFRACTION29D144 - 185
30X-RAY DIFFRACTION30D186 - 227
31X-RAY DIFFRACTION31D228 - 269
32X-RAY DIFFRACTION32D270 - 294

+
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://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