[English] 日本語
Yorodumi
- PDB-4gxv: Crystal structure of anti-influenza virus antibody 1F1 -

+
Open data


ID or keywords:

Loading...

-
Basic information

Entry
Database: PDB / ID: 4gxv
TitleCrystal structure of anti-influenza virus antibody 1F1
Components
  • Antibody 1F1, heavy chain
  • Antibody 1F1, light chain
KeywordsIMMUNE SYSTEM / immunoglobulin / immune recognition
Function / homologyImmunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Function and homology information
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.449 Å
AuthorsEkiert, D.C. / Wilson, I.A.
CitationJournal: Plos Pathog. / Year: 2012
Title: Influenza Human Monoclonal Antibody 1F1 Interacts with Three Major Antigenic Sites and Residues Mediating Human Receptor Specificity in H1N1 Viruses.
Authors: Tsibane, T. / Ekiert, D.C. / Krause, J.C. / Martinez, O. / Crowe, J.E. / Wilson, I.A. / Basler, C.F.
History
DepositionSep 4, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 19, 2012Provider: repository / Type: Initial release
Revision 1.1Dec 26, 2012Group: Database references
Revision 2.0Dec 25, 2019Group: Derived calculations / Polymer sequence
Category: entity_poly / pdbx_struct_mod_residue / struct_conn
Item: _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_struct_mod_residue.parent_comp_id / _struct_conn.pdbx_leaving_atom_flag
Revision 2.1May 26, 2021Group: Source and taxonomy / Category: entity_src_gen
Item: _entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_strain
Revision 2.2Sep 13, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

-
Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

-
Assembly

Deposited unit
H: Antibody 1F1, heavy chain
L: Antibody 1F1, light chain
I: Antibody 1F1, heavy chain
M: Antibody 1F1, light chain


Theoretical massNumber of molelcules
Total (without water)95,4064
Polymers95,4064
Non-polymers00
Water13,331740
1
H: Antibody 1F1, heavy chain
L: Antibody 1F1, light chain


Theoretical massNumber of molelcules
Total (without water)47,7032
Polymers47,7032
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3630 Å2
ΔGint-23 kcal/mol
Surface area20100 Å2
MethodPISA
2
I: Antibody 1F1, heavy chain
M: Antibody 1F1, light chain


Theoretical massNumber of molelcules
Total (without water)47,7032
Polymers47,7032
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3630 Å2
ΔGint-25 kcal/mol
Surface area20040 Å2
MethodPISA
Unit cell
Length a, b, c (Å)51.789, 99.461, 175.095
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

-
Components

#1: Antibody Antibody 1F1, heavy chain


Mass: 24914.973 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): 293 Freestyle / Production host: Homo sapiens (human)
#2: Antibody Antibody 1F1, light chain


Mass: 22788.197 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): 293 Freestyle / Production host: Homo sapiens (human)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 740 / 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: 2.36 Å3/Da / Density % sol: 47.95 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 20% PEG4000, 200 mM sodium phosphate dibasic, VAPOR DIFFUSION, SITTING DROP, temperature 293K

-
Data collection

DiffractionMean temperature: 70 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 1.007 Å
DetectorType: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Jul 17, 2009
RadiationMonochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.007 Å / Relative weight: 1
ReflectionResolution: 1.449→50 Å / Num. obs: 160778 / % possible obs: 99.5 % / Observed criterion σ(I): -3 / Redundancy: 6.5 % / Biso Wilson estimate: 22.3 Å2 / Rsym value: 0.07 / Net I/σ(I): 10.4
Reflection shellResolution: 1.449→1.55 Å / Redundancy: 5.6 % / Mean I/σ(I) obs: 2.4 / Rsym value: 0.58 / % possible all: 97.7

-
Processing

Software
NameVersionClassification
Blu-Icedata collection
PHASERphasing
PHENIX(phenix.refine: 1.8_1069)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRIES 2FB4 AND 1RZF
Resolution: 1.449→36.096 Å / SU ML: 0.17 / σ(F): 1.34 / Phase error: 24 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2072 7896 5.02 %RANDOM
Rwork0.1807 ---
obs0.182 157355 97.6 %-
Solvent computationShrinkage radii: 0.7 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 1.449→36.096 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6618 0 0 740 7358
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0117017
X-RAY DIFFRACTIONf_angle_d1.3249611
X-RAY DIFFRACTIONf_dihedral_angle_d11.9352521
X-RAY DIFFRACTIONf_chiral_restr0.0751086
X-RAY DIFFRACTIONf_plane_restr0.0081243
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.449-1.46510.33192290.32754335X-RAY DIFFRACTION86
1.4651-1.48230.39242600.36344992X-RAY DIFFRACTION98
1.4823-1.50040.30782500.294875X-RAY DIFFRACTION98
1.5004-1.51940.40732680.35374954X-RAY DIFFRACTION97
1.5194-1.53930.39082420.37634910X-RAY DIFFRACTION97
1.5393-1.56040.25642580.24914982X-RAY DIFFRACTION98
1.5604-1.58270.27252800.23654915X-RAY DIFFRACTION98
1.5827-1.60640.262290.22915010X-RAY DIFFRACTION98
1.6064-1.63150.24962550.21414916X-RAY DIFFRACTION97
1.6315-1.65820.23762780.20864887X-RAY DIFFRACTION98
1.6582-1.68680.26392660.21434935X-RAY DIFFRACTION97
1.6868-1.71750.25642680.21854915X-RAY DIFFRACTION97
1.7175-1.75050.24392570.2064929X-RAY DIFFRACTION98
1.7505-1.78620.22892470.20064980X-RAY DIFFRACTION97
1.7862-1.82510.23952480.19644954X-RAY DIFFRACTION98
1.8251-1.86750.22132700.20314990X-RAY DIFFRACTION98
1.8675-1.91420.24392760.22574959X-RAY DIFFRACTION98
1.9142-1.9660.26662580.21944961X-RAY DIFFRACTION98
1.966-2.02380.23932530.20174958X-RAY DIFFRACTION98
2.0238-2.08910.25262680.2154919X-RAY DIFFRACTION97
2.0891-2.16380.22512650.18435037X-RAY DIFFRACTION98
2.1638-2.25040.19943030.18984918X-RAY DIFFRACTION97
2.2504-2.35280.21322630.18435025X-RAY DIFFRACTION98
2.3528-2.47680.19922870.17765083X-RAY DIFFRACTION99
2.4768-2.6320.21353020.17375053X-RAY DIFFRACTION99
2.632-2.83510.22022740.17675105X-RAY DIFFRACTION100
2.8351-3.12030.18042660.17695116X-RAY DIFFRACTION98
3.1203-3.57150.18842400.16555171X-RAY DIFFRACTION99
3.5715-4.49830.162370.13575256X-RAY DIFFRACTION99
4.4983-36.10760.16772990.15365419X-RAY DIFFRACTION99
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)
11.93270.1315-0.47453.02340.60952.3710.12450.0111-0.105-0.0449-0.0877-0.06090.04610.0798-0.04220.123-0.0114-0.02360.16360.00670.124157.321432.4955-26.8686
20.7461-0.373-0.64511.96311.22222.94380.0749-0.08090.2178-0.12160.09440.3732-0.2311-0.1664-0.06050.1923-0.0214-0.01650.2221-0.00150.129236.41944.03582.8447
33.16630.01790.01033.35190.08884.13370.0385-0.2841-0.05460.20690.06390.32430.2354-0.31-0.01890.1586-0.0277-0.00020.1863-0.00420.135335.06539.4838.5884
42.5816-0.1114-1.37394.2435-2.6294.0696-0.01080.34290.2709-0.05950.18460.2719-0.1311-0.2169-0.15930.17760.0061-0.04440.2533-0.00140.319829.597528.9121-28.114
53.05750.7761-1.52084.2903-1.05562.4089-0.02090.14790.0699-0.35390.07220.08810.07750.0175-0.05240.0995-0.015-0.04380.1244-0.02390.131741.599329.391-32.5253
63.67071.3287-1.18143.96980.00853.2586-0.26720.2395-0.0636-0.35120.18760.22680.1867-0.17090.09050.1895-0.0281-0.03250.2646-0.04150.178736.423722.1594-36.1151
72.69560.5015-1.09091.22280.25471.67870.03170.02680.0280.0456-0.03980.2329-0.0241-0.0691-0.00260.12780.0003-0.04820.1426-0.0070.184935.999129.2-26.2314
87.22015.16723.35469.34324.94136.0423-0.1827-0.09290.1780.38450.0873-0.1067-0.2897-0.17850.11310.36280.0744-0.06040.2496-0.04430.281329.433950.07162.1235
91.06211.03920.04116.02182.25433.0101-0.047-0.00540.0892-0.1135-0.11020.1512-0.348-0.16640.1670.23980.0221-0.04220.2201-0.01390.225127.449341.102-8.7548
109.7483-2.62321.10188.1226-1.28678.66650.19810.82260.747-0.9986-0.06920.0237-0.7608-0.4078-0.11840.5655-0.0247-0.0750.38050.08790.339629.394352.9564-13.3287
114.14060.40940.43476.72112.76584.1975-0.07190.023-0.015-0.02560.0574-0.3169-0.1312-0.0768-0.010.20560.0168-0.05190.20790.00880.08931.320142.8995-5.9504
122.723-1.1105-0.68840.9008-0.37491.1857-0.1727-0.08130.4067-0.4995-0.2780.9064-0.5-0.49050.3530.370.0955-0.16150.3046-0.04970.403221.357447.5092-9.5872
131.3418-0.554-0.37490.4644-0.35681.29570.20150.1468-1.2073-0.6926-0.25570.76690.4219-0.0399-0.88830.64680.008-0.4520.1566-0.01041.0338-25.961175.665626.0627
142.8147-1.0630.55441.8567-1.16230.9570.42310.018-0.7212-0.3848-0.13940.59120.2635-0.03020.09510.24150.0081-0.15810.17-0.01050.3823-21.281987.31830.0709
150.16450.1251-0.64993.97070.78633.4412-0.0393-0.18470.3791-0.2268-0.1759-0.3129-0.49580.19810.11170.2851-0.0001-0.04630.2351-0.04430.2715-1.711355.824816.1165
163.2327-0.2593-0.0085.53810.50963.74430.0188-0.23040.03010.1809-0.1603-0.3257-0.17870.02340.14840.2536-0.0409-0.03340.2589-0.01360.2092-0.444350.602820.3352
172.566-2.06730.43632.7284-0.27780.57390.32980.0380.0085-0.2517-0.2998-0.04630.00990.2893-0.01560.12550.0036-0.01750.25240.04580.1264-1.301988.355532.673
183.8817-2.90890.44944.6847-4.06795.6268-0.27310.21130.32021.05390.44420.0883-1.12390.3151-0.10650.3767-0.12090.00650.40990.00420.2713-5.143393.581944.2328
192.0615-1.15340.07532.7154-0.06841.7930.2992-0.15040.0096-0.1943-0.2419-0.0981-0.08040.33830.05720.1264-0.0040.00740.25480.04510.1305-2.638390.020533.0158
202.4095-2.42360.20293.78491.8883.24170.3371-0.1935-0.6189-0.04410.28140.03940.78640.036-0.58810.3150.0201-0.1350.27770.03040.29029.681973.85835.3287
219.1035.11316.33667.44074.8044.74230.0349-0.0714-0.1507-0.24890.0584-0.3956-0.0435-0.374-0.09650.3926-0.0620.03810.2605-0.04030.30174.471256.43638.6057
222.52131.26222.76341.85283.11855.4504-0.06020.0363-0.2235-0.0817-0.0268-0.6539-0.13650.1797-0.05240.5121-0.0987-0.08950.21650.01750.3327.825567.589420.0724
233.01751.67780.55573.6623-0.31440.2916-0.1051-0.06010.1591-0.2446-0.0012-0.123-0.98110.0456-0.04180.6169-0.0564-0.0230.2449-0.00510.33874.12766.805715.2479
242.08230.53690.88282.5852.36683.7038-0.30890.5686-0.2185-0.19580.5353-0.7212-0.21430.3955-0.05530.7668-0.3244-0.01740.4208-0.01680.412912.612268.24999.4051
250.3428-0.15830.97532.78782.59466.10330.0086-0.0586-0.17460.23610.4526-0.6472-0.58230.3956-0.38530.4384-0.16080.00350.3206-0.11760.482415.300567.405315.5778
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'H' and (resid 2 through 108 )
2X-RAY DIFFRACTION2chain 'H' and (resid 109 through 148 )
3X-RAY DIFFRACTION3chain 'H' and (resid 149 through 215 )
4X-RAY DIFFRACTION4chain 'L' and (resid 2 through 22 )
5X-RAY DIFFRACTION5chain 'L' and (resid 23 through 48 )
6X-RAY DIFFRACTION6chain 'L' and (resid 49 through 75 )
7X-RAY DIFFRACTION7chain 'L' and (resid 76 through 113 )
8X-RAY DIFFRACTION8chain 'L' and (resid 114 through 129 )
9X-RAY DIFFRACTION9chain 'L' and (resid 130 through 150 )
10X-RAY DIFFRACTION10chain 'L' and (resid 151 through 161 )
11X-RAY DIFFRACTION11chain 'L' and (resid 162 through 187 )
12X-RAY DIFFRACTION12chain 'L' and (resid 188 through 209 )
13X-RAY DIFFRACTION13chain 'I' and (resid 2 through 21 )
14X-RAY DIFFRACTION14chain 'I' and (resid 22 through 110 )
15X-RAY DIFFRACTION15chain 'I' and (resid 111 through 150 )
16X-RAY DIFFRACTION16chain 'I' and (resid 151 through 215 )
17X-RAY DIFFRACTION17chain 'M' and (resid 1 through 48 )
18X-RAY DIFFRACTION18chain 'M' and (resid 49 through 61 )
19X-RAY DIFFRACTION19chain 'M' and (resid 62 through 101 )
20X-RAY DIFFRACTION20chain 'M' and (resid 102 through 113 )
21X-RAY DIFFRACTION21chain 'M' and (resid 114 through 129 )
22X-RAY DIFFRACTION22chain 'M' and (resid 130 through 150 )
23X-RAY DIFFRACTION23chain 'M' and (resid 151 through 187 )
24X-RAY DIFFRACTION24chain 'M' and (resid 188 through 197 )
25X-RAY DIFFRACTION25chain 'M' and (resid 198 through 209 )

+
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