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- PDB-9bli: Crystal structure of Actin capping protein in complex with a frag... -

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Basic information

Entry
Database: PDB / ID: 9bli
TitleCrystal structure of Actin capping protein in complex with a fragment of Legionella pneumophila RavB
Components
  • F-actin-capping protein subunit alpha-1
  • F-actin-capping protein subunit beta isoforms 1 and 2
  • Integrase
KeywordsPROTEIN BINDING / ACTIN CAPPING PROTEIN / BARBED END REGULATION / CONFORMATIONAL CHANGE / CELL MOTILITY / ACTIN CAPPING / ACTIN-BINDING / CYTOSKELETON / SECRETED BACTERIAL EFFECTOR PROTEIN
Function / homology
Function and homology information


Advanced glycosylation endproduct receptor signaling / RHOD GTPase cycle / RHOF GTPase cycle / HSP90 chaperone cycle for steroid hormone receptors (SHR) in the presence of ligand / COPI-independent Golgi-to-ER retrograde traffic / Factors involved in megakaryocyte development and platelet production / COPI-mediated anterograde transport / negative regulation of filopodium assembly / F-actin capping protein complex / WASH complex ...Advanced glycosylation endproduct receptor signaling / RHOD GTPase cycle / RHOF GTPase cycle / HSP90 chaperone cycle for steroid hormone receptors (SHR) in the presence of ligand / COPI-independent Golgi-to-ER retrograde traffic / Factors involved in megakaryocyte development and platelet production / COPI-mediated anterograde transport / negative regulation of filopodium assembly / F-actin capping protein complex / WASH complex / sperm head-tail coupling apparatus / barbed-end actin filament capping / cell junction assembly / actin polymerization or depolymerization / regulation of lamellipodium assembly / regulation of cell morphogenesis / lamellipodium assembly / cortical cytoskeleton / brush border / cytoskeleton organization / hippocampal mossy fiber to CA3 synapse / cell morphogenesis / Schaffer collateral - CA1 synapse / Z disc / actin filament binding / lamellipodium / actin cytoskeleton organization / postsynaptic density / membrane / plasma membrane / cytosol
Similarity search - Function
F-actin-capping protein subunit beta / F-actin capping protein, beta subunit, conserved site / F-actin-capping protein subunit beta, N-terminal domain / F-actin capping protein, beta subunit / F-actin capping protein beta subunit signature. / F-actin capping protein, alpha subunit, conserved site / F-actin capping protein alpha subunit signature 1. / F-actin capping protein alpha subunit signature 2. / F-actin-capping protein subunit alpha / F-actin-capping protein subunit alpha/beta ...F-actin-capping protein subunit beta / F-actin capping protein, beta subunit, conserved site / F-actin-capping protein subunit beta, N-terminal domain / F-actin capping protein, beta subunit / F-actin capping protein beta subunit signature. / F-actin capping protein, alpha subunit, conserved site / F-actin capping protein alpha subunit signature 1. / F-actin capping protein alpha subunit signature 2. / F-actin-capping protein subunit alpha / F-actin-capping protein subunit alpha/beta / F-actin-capping protein subunit alpha/beta, domain 2 / F-actin capping protein, alpha subunit, domain 1 / F-actin capping protein alpha subunit
Similarity search - Domain/homology
FORMIC ACID / F-actin-capping protein subunit alpha-1 / F-actin-capping protein subunit beta isoforms 1 and 2 / Integrase
Similarity search - Component
Biological speciesGallus gallus (chicken)
Legionella pneumophila subsp. pneumophila (bacteria)
MethodX-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2 Å
AuthorsYe, J.S. / Majumdar, A. / Tomchick, D.R. / Tagliabracci, V.S.
Funding support United States, 5items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)DP2GM137419 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)K99GM147532 United States
Robert A. Welch FoundationI-1911 United States
Robert A. Welch FoundationI-1704 United States
Howard Hughes Medical Institute (HHMI) United States
CitationJournal: To Be Published
Title: Bacterial ubiquitin ligase engineered for small molecule and protein target identification
Authors: Ye, J.S. / Majumdar, A. / Park, B. / Black, M.H. / Hsieh, T.-S. / Osinski, A. / Servage, K.A. / Kulkarni, K. / Naidoo, J. / Alto, N.M. / Stratton, M.M. / Ready, J.M. / Pawlowski, K. / ...Authors: Ye, J.S. / Majumdar, A. / Park, B. / Black, M.H. / Hsieh, T.-S. / Osinski, A. / Servage, K.A. / Kulkarni, K. / Naidoo, J. / Alto, N.M. / Stratton, M.M. / Ready, J.M. / Pawlowski, K. / Tomchick, D.R. / Tagliabracci, V.S.
History
DepositionApr 30, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 7, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: F-actin-capping protein subunit alpha-1
B: F-actin-capping protein subunit beta isoforms 1 and 2
C: Integrase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)65,9646
Polymers65,8263
Non-polymers1383
Water3,261181
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10710 Å2
ΔGint-52 kcal/mol
Surface area24580 Å2
MethodPISA
Unit cell
Length a, b, c (Å)66.502, 55.322, 77.900
Angle α, β, γ (deg.)90.000, 107.080, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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Components

#1: Protein F-actin-capping protein subunit alpha-1 / Beta-actinin subunit I / CapZ 36/32


Mass: 33001.789 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Gallus gallus (chicken) / Gene: CAPZA1 / Production host: Escherichia coli (E. coli) / References: UniProt: P13127
#2: Protein F-actin-capping protein subunit beta isoforms 1 and 2 / Beta-actinin subunit II / CapZ 36/32 / CapZ B1 and B2


Mass: 27893.488 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Gallus gallus (chicken) / Gene: CAPZB / Production host: Escherichia coli (E. coli) / References: UniProt: P14315
#3: Protein/peptide Integrase


Mass: 4930.744 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Legionella pneumophila subsp. pneumophila (strain Philadelphia 1 / ATCC 33152 / DSM 7513) (bacteria)
Strain: Philadelphia 1 / ATCC 33152 / DSM 7513 / Gene: lpg0030 / Production host: Escherichia coli (E. coli) / References: UniProt: Q5ZZI0
#4: Chemical ChemComp-FMT / FORMIC ACID


Mass: 46.025 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: CH2O2
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 181 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN
Has protein modificationN

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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: 2.08 Å3/Da / Density % sol: 40.89 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 10 mM Tris pH 8.0, 0.2 M ammonium formate, 0.15 M NaCl, 21% w/v PEG 3350, 30% ethylene glycol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SEALED TUBE / Type: RIGAKU MICROMAX-003 / Wavelength: 1.5418 Å
DetectorType: RIGAKU HyPix-6000HE / Detector: PIXEL / Date: Oct 5, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.5418 Å / Relative weight: 1
ReflectionResolution: 2→50 Å / Num. obs: 35564 / % possible obs: 96.7 % / Redundancy: 9.3 % / Biso Wilson estimate: 25.48 Å2 / CC1/2: 0.994 / CC star: 0.999 / Rmerge(I) obs: 0.124 / Rpim(I) all: 0.039 / Rrim(I) all: 0.13 / Χ2: 0.97 / Net I/σ(I): 6.8 / Num. measured all: 330215
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible all
2-2.031.30.35910360.7910.940.3450.4991.22156.6
2.03-2.072.10.33215500.8180.9490.2490.4191.06885.4
2.07-2.112.80.33417350.8370.9550.2180.4030.99493.6
2.11-2.153.40.32717740.8780.9670.1910.3810.98298.1
2.15-2.24.30.33417960.8990.9730.1750.3791.01599.6
2.2-2.255.30.31618230.9290.9810.1480.351.05499.9
2.25-2.316.70.32518350.9540.9880.1330.3521.059100
2.31-2.378.10.33118350.9590.990.1220.3531.028100
2.37-2.449.20.29718400.9750.9940.1020.3150.998100
2.44-2.5210.20.28918430.9810.9950.0940.3041.006100
2.52-2.6111.10.25818070.9850.9960.080.270.974100
2.61-2.71120.23818380.9880.9970.0710.2490.988100
2.71-2.8412.80.21918270.9920.9980.0640.2290.974100
2.84-2.9913.20.19218560.9940.9990.0550.1990.954100
2.99-3.1713.40.15818170.9960.9990.0450.1640.95100
3.17-3.4213.40.12218670.9970.9990.0350.1270.964100
3.42-3.7613.30.09418350.9980.9990.0260.0970.98100
3.76-4.3113.20.07618700.99810.0220.0790.923100
4.31-5.4312.80.06818560.99910.0190.070.917100
5.43-5011.50.06719240.99910.0210.070.895100

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
HKL-3000data scaling
HKL-3000data reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2→44.41 Å / SU ML: 0.2022 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 21.0127
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2076 2550 7.28 %
Rwork0.1802 32496 -
obs0.1822 35046 95.21 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 29.61 Å2
Refinement stepCycle: LAST / Resolution: 2→44.41 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4391 0 9 181 4581
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00494503
X-RAY DIFFRACTIONf_angle_d0.71236088
X-RAY DIFFRACTIONf_chiral_restr0.0453658
X-RAY DIFFRACTIONf_plane_restr0.0079801
X-RAY DIFFRACTIONf_dihedral_angle_d14.07851697
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2-2.040.3623610.2632769X-RAY DIFFRACTION40.73
2.04-2.080.24711210.22841556X-RAY DIFFRACTION82.37
2.08-2.130.25351360.21531736X-RAY DIFFRACTION92.63
2.13-2.180.26771450.20521837X-RAY DIFFRACTION97.92
2.18-2.230.22861490.1941903X-RAY DIFFRACTION99.81
2.23-2.290.21641470.18171876X-RAY DIFFRACTION100
2.29-2.360.22721470.18731860X-RAY DIFFRACTION100
2.36-2.430.20941500.18211908X-RAY DIFFRACTION100
2.43-2.520.20361480.1841889X-RAY DIFFRACTION100
2.52-2.620.21821480.18431885X-RAY DIFFRACTION100
2.62-2.740.22281460.18691875X-RAY DIFFRACTION100
2.74-2.890.24791510.19881914X-RAY DIFFRACTION100
2.89-3.070.20781490.20091892X-RAY DIFFRACTION100
3.07-3.30.23351490.18891902X-RAY DIFFRACTION100
3.3-3.630.20691460.1861871X-RAY DIFFRACTION100
3.64-4.160.1681520.16151935X-RAY DIFFRACTION100
4.16-5.240.1621490.14031900X-RAY DIFFRACTION99.95
5.24-44.410.20071560.17081988X-RAY DIFFRACTION99.95
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)
11.935802836340.5648863214930.2640578101691.57904664039-0.02472365578051.24767820210.0762581317708-0.445646927139-0.2807061425950.283136214282-0.07806362712230.1190323732210.10564456384-0.2075265453480.02892975001660.226584981412-0.02074309999510.02543079599060.2632592415050.03058996744590.233031108029-30.9067216961-16.9498414416-5.45338221575
20.5964952477930.241863845532-0.2100486424023.622997901750.00256745877452.543415047640.1748682680290.00430866228013-0.1969375780040.02664584530190.006302846131630.07741922824660.212751612464-0.0329968926481-0.1292776540660.2069545750950.00197326359746-0.03935487782660.207557613612-0.0003167250701970.283727998388-42.8832390163-27.3567756006-24.2652315464
33.574033572110.619337783480.1520998702522.66299369889-0.4777577943732.038798781130.0479132303265-0.0405471692139-0.242968044415-0.06130926013390.01183677373540.2705214017060.0183639896897-0.353251979194-0.05629759530130.2264416683570.00674801185967-0.02408723222630.234257731136-0.01061699743590.22862721526-47.2458005565-17.7956679302-34.1558229469
41.068087616920.710112737560.4625085187851.11995004890.1931195826520.532011925837-0.02223150402440.04110902634690.0635548384711-0.1206355245550.001595635878880.139717965503-0.051353921289-0.006745131670840.02032625453710.1905907620210.03487379932360.02094286801070.193057371613-0.01259510453120.151918023961-33.2554009579-1.35472821119-29.4324399114
51.90018072257-0.298412693851.274463804050.858794221799-0.7869238004772.06838226579-0.0957264598941-0.0833645471992-0.04246852814160.08736644553290.00627155180576-0.1870007213690.01135892634980.1003366732050.05857486166130.2218335811940.01183919128640.0256820856550.206572286793-0.005005320339790.247365061891-15.5441246605-11.1819330388-6.00228192739
61.39624681168-0.05667505686430.6579114383572.29025937206-1.153688977374.32236457777-0.0752019733029-0.1249444283360.02973766926440.2478062821690.1395012309340.305395603739-0.181651310337-0.550668750235-0.04570330934330.2050001619950.006330471289630.01358981767110.2622223493180.01358334210780.230179396213-26.619411563-3.67514583072-5.61852664238
70.6838440476530.4480825707610.3170868519291.219307358480.2354702459441.12535898049-0.0109500897807-0.1456481305060.1329916658530.159144921262-0.01185358826780.0670180943697-0.0529658374519-0.05338597341480.0008172433926740.222892586280.007068006516620.03814186137020.2212778254350.01717595976920.228904347525-18.35035598158.57746772622-1.23637197991
83.219363816510.338631397681-0.1990453089331.715746403020.1758419255970.711657920975-0.0882169594214-0.4459614621660.1428954538580.2019455612850.0562133458850.0503403102388-0.2209387281520.06502414524150.00588277774990.2858682910770.00851824053197-0.0006856609929070.244698209236-0.01202257502190.222667351637-13.736415740416.18860447466.11444597903
91.128303184140.4974925458430.4856121907331.385550072290.7114664438871.71303003725-0.0824976994313-0.05570922057660.113397356950.0270738270473-0.0245133090925-0.0752195384608-0.1275007286850.07774109328580.1095522617890.190025803123-0.01209468466760.009192050948510.1983046782980.0004978548364370.189571234804-10.363347086916.3555487701-9.78228037284
102.18279548271.120461401671.504843885950.579976137040.7248072285031.157881502430.05402899367150.0891052975071-0.359466050530.08023959843470.0676305149591-0.03970818127130.01362428190380.0796700834693-0.1085793897650.219303894446-0.003378868043660.02436602956860.221487693868-0.001818261009530.197217228413-5.915337050398.41518721221-10.7786838303
112.851534167370.7057746461361.075643325520.4107127860510.6125543419620.931726367159-0.1255571264760.3071590989040.10362431958-0.05497562295380.1006354935210.00452414998823-0.1055088572920.1645127682580.03061289890020.237307263531-0.03143471802710.01403915323390.2182885341050.02273780350140.217663558794-10.7955383086.56922651786-17.1231918985
121.593088442861.38111701570.8710162193931.337122584580.6278654614330.578766464871-0.1330475473710.19773979947-0.0401180300681-0.1578849097250.129186031674-0.0937733623213-0.1220161299020.158860040769-0.01420792760040.23620398908-0.02402042801230.02070025566790.2473969838260.007381476008330.216478697779-13.59797709574.91193015606-25.0893879099
134.240451493611.814669884880.6676069925843.692304646010.1715491230172.633373305450.4646169910530.277328550406-0.600951151235-0.2612146106640.37392583740.03603446616770.0710603232929-0.269208706536-0.8044904808340.251716184217-0.007959688775070.001173586244190.3335746378380.01773944168840.416983717139-10.6093991381-7.50819217199-13.4240544018
147.861599035920.105701030131.340712695254.86269466479-0.3680450270887.45646737540.358543270834-0.369584411174-0.8770685375850.626233944302-0.140825241511-0.1510678667240.5375333382590.0372078576441-0.1583508850420.330524964474-0.00435249487251-0.03030066805360.3345643941890.04746031853150.327669418284-7.77900754831-3.13154875214-5.45215910714
154.664276306381.10433603331-0.7945593659333.355164572780.1656929920015.27770284901-0.110467078939-0.572367196544-0.04020866751380.2012045992630.0379508341312-0.612455689590.396120898960.5988693975340.01541761142810.366068618860.109319967247-0.02716201023750.2682307904240.005477170658820.286994578338-13.15462388243.21359204567.36987738562
161.07041789181-0.375049895297-0.4980591441285.67992695119-0.3529012774210.2945990717750.20649382467-0.204150487792-0.160505181023-0.3709073400690.0510174201928-0.2037840363730.177142722975-0.0840142578021-0.1970796529410.3168504091290.02744995325550.05495235021750.3439061515990.004950609553570.349934871718-25.0890057332-1.767046995137.60133510068
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 3 through 60 )AA3 - 601 - 58
22chain 'A' and (resid 61 through 117 )AA61 - 11759 - 115
33chain 'A' and (resid 118 through 151 )AA118 - 151116 - 149
44chain 'A' and (resid 152 through 276 )AA152 - 276150 - 274
55chain 'B' and (resid -3 through 17 )BD-3 - 171 - 21
66chain 'B' and (resid 18 through 31 )BD18 - 3122 - 35
77chain 'B' and (resid 32 through 70 )BD32 - 7036 - 74
88chain 'B' and (resid 71 through 90 )BD71 - 9075 - 94
99chain 'B' and (resid 91 through 144 )BD91 - 14495 - 148
1010chain 'B' and (resid 145 through 162 )BD145 - 162149 - 166
1111chain 'B' and (resid 163 through 208 )BD163 - 208167 - 212
1212chain 'B' and (resid 209 through 244 )BD209 - 244213 - 248
1313chain 'C' and (resid 115 through 119 )CF115 - 1191 - 5
1414chain 'C' and (resid 120 through 124 )CF120 - 1246 - 10
1515chain 'C' and (resid 125 through 132 )CF125 - 13211 - 18
1616chain 'C' and (resid 133 through 139 )CF133 - 13919 - 25

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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

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