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Yorodumi- PDB-8eyz: Engineered glutamine binding protein bound to GLN and a cobaloxim... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8eyz | |||||||||
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Title | Engineered glutamine binding protein bound to GLN and a cobaloxime ligand | |||||||||
Components | Amino acid ABC transporter substrate-binding protein | |||||||||
Keywords | METAL BINDING PROTEIN / Artificial Metalloprotein / Glutamine-binding protein / Conformationally Switchable Artificial Metallorprotein / cobaloxime ligand | |||||||||
Function / homology | Function and homology information amino acid transport / ligand-gated monoatomic ion channel activity / outer membrane-bounded periplasmic space / membrane Similarity search - Function | |||||||||
Biological species | Escherichia coli (E. coli) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.99 Å | |||||||||
Authors | Bridwell-Rabb, J. / Boggs, D.G. / Olshansky, L. / Fatima, S. / Thompson, P. | |||||||||
Funding support | United States, 1items
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Citation | Journal: J.Am.Chem.Soc. / Year: 2022 Title: Engineering a Conformationally Switchable Artificial Metalloprotein. Authors: Fatima, S. / Boggs, D.G. / Ali, N. / Thompson, P.J. / Thielges, M.C. / Bridwell-Rabb, J. / Olshansky, L. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8eyz.cif.gz | 573.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8eyz.ent.gz | 434.6 KB | Display | PDB format |
PDBx/mmJSON format | 8eyz.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8eyz_validation.pdf.gz | 3.8 MB | Display | wwPDB validaton report |
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Full document | 8eyz_full_validation.pdf.gz | 3.9 MB | Display | |
Data in XML | 8eyz_validation.xml.gz | 97.8 KB | Display | |
Data in CIF | 8eyz_validation.cif.gz | 127.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ey/8eyz ftp://data.pdbj.org/pub/pdb/validation_reports/ey/8eyz | HTTPS FTP |
-Related structure data
Related structure data | 1wdnS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
-Protein , 1 types, 12 molecules ABCDEFGHIJKL
#1: Protein | Mass: 25254.658 Da / Num. of mol.: 12 / Mutation: K23I, T72C Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) Gene: glnH, A5U30_004091, A6592_04880, A8499_000176, A9X72_16950, AAG43_003583, ACN68_16860, ACN81_02400, ACU57_05845, AF998_000125, AM464_21485, APX88_17575, AT335_000554, AT845_002764, AW118_24500, ...Gene: glnH, A5U30_004091, A6592_04880, A8499_000176, A9X72_16950, AAG43_003583, ACN68_16860, ACN81_02400, ACU57_05845, AF998_000125, AM464_21485, APX88_17575, AT335_000554, AT845_002764, AW118_24500, AW119_03915, AWP47_29145, B6R12_003536, B6R15_002883, B6R31_003222, B6R48_003973, B6R87_003886, BANRA_01322, BANRA_01764, BEA19_14205, BER14_07540, BF481_003043, BG944_004267, BGM66_000966, BHS81_04935, BJI68_11495, BJJ90_17825, BK292_21345, BK383_19105, BLM69_000575, BMC79_000611, BMT49_05685, BMT50_00560, BMT91_20520, BN17_06101, BO068_000746, BOH76_16995, BON63_24725, BON64_24190, BON65_04740, BON66_07455, BON67_25290, BON68_02720, BON69_08400, BON70_24775, BON71_14305, BON72_22420, BON73_01195, BON74_14830, BON75_15470, BON76_25420, BON77_09375, BON78_20655, BON79_20060, BON80_12630, BON81_19085, BON82_15305, BON83_05500, BON84_13940, BON86_21740, BON87_16800, BON88_07465, BON89_22820, BON90_14295, BON91_21900, BON92_22285, BON93_04225, BON94_25770, BON95_05775, BON96_27115, BON97_10525, BON98_19710, BR158_002878, BRV02_000648, BSR05_11095, BTB68_001717, BTQ06_26205, BUO55_004168, BvCmsF30A_02312, BvCmsHHP019_04964, BvCmsKKP061_03133, BvCmsKSNP073_02686, BVL39_24445, BXT93_09325, BZL69_00955, C0P57_004641, C1Q91_004053, C2121_002453, C2M16_01565, C2R31_002978, C2U48_05980, C3F40_08525, C5N07_02720, C5Y87_11455, C9114_21285, C9160_24490, C9E67_21255, C9Z68_13890, CA593_25060, CCS08_19690, CCV12_002704, CDC27_03365, CDL36_05995, CDL37_06170, CF22_003152, CG831_000699, CHM61_001352, CIG67_24135, CO706_26845, CQ986_002219, CR538_17365, CR539_08495, CR628_003110, CTR35_001347, CV83915_00768, CWS33_06680, CX938_000617, CXJ73_000498, CY655_04230, D0X26_05085, D1912_20655, D1H34_001169, D3822_09995, D3C88_05045, D3G36_03255, D3Y67_17015, D4N09_12520, D4U49_00030, D9D43_04855, D9D77_09815, D9E34_09280, D9E49_16110, D9H94_11690, D9J03_11000, D9J61_05355, DAH17_03825, DAH18_19240, DAH19_07490, DAH20_21020, DAH21_16625, DAH22_20195, DAH23_12545, DAH24_12625, DAH25_13880, DAH26_12570, DAH27_27195, DAH28_26570, DAH29_21215, DAH30_24830, DAH31_23660, DAH32_25755, DAH33_16740, DAH34_00565, DAH35_19590, DAH36_01785, DAH37_00035, DAH38_23920, DAH40_16855, DAH41_26115, DAH42_14420, DAH43_13740, DAH45_14115, DAH46_16030, DAH47_10645, DAH48_08930, DAH49_15255, DAH50_02775, DD762_19985, DEN86_16580, DEN87_25365, DEN88_18460, DEN89_18240, DEN90_15895, DEN91_18520, DEN92_25370, DEN93_25685, DEN94_25170, DEN95_25645, DEN96_14460, DEN97_05945, DEN98_14610, DEN99_03305, DEO00_15605, DEO01_16930, DEO02_15845, DEO03_02745, DEO04_17445, DEO05_17315, DEO06_16065, DEO07_16850, DEO08_10875, DEO09_17170, DEO10_17430, DEO11_17320, DEO12_17235, DEO13_25310, DEO14_25015, DEO15_18570, DEO17_18420, DEO18_14095, DEO19_25855, DEO20_09480, DIV22_24420, DKP82_24310, DM870_16080, DN627_03140, DNX30_21735, DRW19_18320, DS732_09030, DTL43_10730, DTL90_03445, DTM45_05760, DU321_00670, DXT69_17235, DXT70_03865, DXT71_08710, DXT73_10050, E0I42_20880, E2112_02675, E2113_01945, E2114_18730, E2115_17055, E2116_04330, E2117_24095, E2118_16300, E2119_12420, E2120_04215, E2121_18185, E2122_15175, E2123_15570, E2124_10840, E2125_18565, E2127_00470, E2128_04955, E2129_10405, E2130_05520, E2131_16230, E2132_01450, E2133_04840, E2134_04965, E2135_16085, E2136_14980, E2646_20010, E3O05_01530, E4K51_02810, E4T14_00550, E4T84_17465, E5H86_25390, E5M02_22525, E5P22_03440, E5P23_09650, E5P24_07820, E5P25_14380, E5P26_02375, E5P27_03730, E5P28_05135, E5P29_02255, E5P30_11875, E5P31_05030, E5P32_00405, E5P33_13470, E5P34_03095, E5P35_02485, E5P36_15665, E5P37_20315, E5P39_19970, E5P40_02695, E5P41_16665, E5P42_12050, E5P43_17005, E5P44_18530, E5P45_22380, E5P46_16045, E5P47_19935, E5P48_15405, E5P49_19430, E5P50_22740, E5P51_16920, E5S34_18760, E5S35_18835, E5S36_04930, E5S37_23235, E5S38_16415, E5S39_18510, E5S43_19010, E5S44_19440, E5S45_23380, E5S46_22040, E5S47_18610, E5S48_18775, E5S51_14615, E5S52_10650, E5S53_16880, E5S54_25355, E5S55_16870, E5S56_20090, E5S57_09335, E5S58_12745, E5S61_14780, E5S62_04320, E6C80_01100, E6D34_16620, EA239_02055, EA435_03075, EAI46_17535, EAN77_08520, EAX79_16230, EC1094V2_3069, EC95NR1_05084, ECs0889, ED648_06680, EHD79_17160, EI021_00555, EIA08_01310, EIZ93_04910, EKI52_06410, EL79_3071, EL80_3032, ELT16_02415, ELT17_17330, ELT20_02820, ELT21_01480, ELT22_07560, ELT23_02015, ELT24_02785, ELT25_04925, ELT26_09185, ELT27_07495, ELT28_15430, ELT29_09190, ELT30_04155, ELT31_02235, ELT32_01320, ELT33_01125, ELT34_02155, ELT35_01150, ELT36_07860, ELT38_02015, ELT39_12720, ELT40_06625, ELT41_10995, ELT44_00485, ELT45_07655, ELT46_05645, ELT48_02765, ELT49_11575, ELT50_00370, ELT51_04720, ELT52_01735, ELT54_03790, ELT55_02630, ELT56_04370, ELT58_13405, ELT59_01975, ELT60_02685, ELT61_00525, ELT63_00400, ELT72_09395, ELU07_01290, ELU82_01275, ELU83_00030, ELU85_01090, ELU88_02755, ELU89_06090, ELU90_16660, ELU91_09660, ELU94_20245, ELU95_04135, ELU96_01710, ELU97_02075, ELU98_07325, ELU99_17975, ELV00_00990, ELV01_02685, ELV02_04500, ELV03_02685, ELV04_09130, ELV05_01070, ELV07_02685, ELV08_05490, ELV09_09705, ELV10_03635, ELV11_00495, ELV12_17700, ELV13_05135, ELV15_08005, ELV16_06920, ELV20_01690, ELV21_07280, ELV22_03390, ELV23_04940, ELV26_19830, ELV28_13395, ELV29_14030, ELV40_13070, ELX48_20960, ELX61_08885, ELX66_13645, ELX68_03535, ELX69_04805, ELX76_06605, ELX79_08650, ELX85_04825, ELX96_24945, ELY02_21695, ELY32_15660, ELY36_07870, ELY39_10000, ELY41_22740, ELY48_10875, EN85_004581, ERS085406_04011, ERS139208_02685, EWK56_11475, ExPECSC038_02876, EXX13_17615, EYV17_11920, EYV18_03835, F0L67_04275, F2N20_02135, F2N31_03410, F3N40_12265, F7F11_11485, F7N46_08470, F9413_07780, F9461_01305, F9B07_02710, F9S83_08475, F9V24_04485, F9X20_12650, FDM60_08540, FE584_14605, FE587_14715, FEJ01_13600, FFF58_04660, FGG80_18845, FHO90_02740, FHQ91_05095, FIJ20_11900, FJQ40_17745, FJQ51_03360, FJQ53_08590, FKO60_07285, FOI11_009340, FOI11_10705, FPI65_04950, FPJ29_13820, FPS11_01585, FQF29_02765, FV293_02200, FVB16_07150, FWK02_14955, FY127_05225, FZC17_24290, FZN31_16475, FZU14_07000, G3813_001838, G3V95_03410, G3W53_12740, G4A38_09725, G4A47_02555, G5603_02180, G7630_000206, G9448_06715, GAI66_11760, GAI89_13630, GAJ12_17235, GAJ26_02185, GF147_05165, GF699_09700, GFY34_01840, GIB53_03185, GJ11_04510, GJO56_05855, GKF66_09425, GKF89_13835, GNW61_02415, GNZ05_09120, GOP25_10140, GP711_00870, GP944_02795, GP965_17210, GP979_15650, GQM04_08380, GQM13_17840, GQM21_08920, GQN34_06325, GQW07_06480, GQW68_09320, GQW80_16390, GRC73_03245, GRO95_00200, GRW05_01550, GRW24_15895, GRW56_11730, GRW57_13110, GSM54_17415, GSY44_21500, GTP88_11170, GUC01_03260, GUI33_12255, H0O37_11575, H0O39_10830, H0O72_02630, HEP30_007075, HEP34_000682, HHH44_004674, HI055_001651, HIE29_000308, HIN64_003897, HJQ60_003183, HJU54_001291, HKA49_004171, HL563_07185, HL601_10425, HLV18_05320, HLX92_21635, HLZ50_00225, HmCms169_02183, HMJ82_04430, HMV95_02550, HMW38_01730, HNC36_00575, HNC59_02155, HNC66_13445, HNC99_06490, HND12_01310, HV109_16015, HV209_04855, HVV39_21020, HVW04_06960, HVW19_18030, HVW43_08305, HVY77_17775, HVZ71_16640, HX136_17495, I6H00_09980, I6H01_21610, I6H02_22350, IA00_002027, IFB95_003951, IH768_00950, IH772_11995, IT029_003785, J0541_000988, J4S20_005071, J5U05_002124, JE86ST02C_09210, JE86ST05C_09750, JFD_02409, JNP96_08670, NCTC10082_05067, NCTC10089_03418, NCTC10090_00382, NCTC10418_05048, NCTC10429_05756, NCTC10865_04252, NCTC11181_00607, NCTC12950_03687, NCTC13127_04610, NCTC13216_03355, NCTC4450_03842, NCTC7922_06781, NCTC7927_03810, NCTC7928_05513, NCTC8008_02951, NCTC8009_06196, NCTC8179_02263, NCTC8333_03962, NCTC8450_01827, NCTC8500_03700, NCTC8621_03555, NCTC8959_00379, NCTC8960_00488, NCTC9001_01370, NCTC9036_03440, NCTC9037_03540, NCTC9075_04560, NCTC9111_03455, NCTC9702_03882, NCTC9706_00702, NCTC9775_01675, NCTC9777_03409, NCTC9962_02368, ND22_002874, RG28_00455, SAMEA3472044_00248, SAMEA3472056_00231, SAMEA3472147_02754, SAMEA3751407_00314, SAMEA3752557_02233, SAMEA3753106_00906, TUM18780_29030, WP4S18E07_30170, WR15_25350, XU56_002013 Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: C3THM2 |
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-Non-polymers , 5 types, 122 molecules
#2: Chemical | ChemComp-X5Z / #3: Chemical | ChemComp-SO4 / #4: Chemical | ChemComp-GLN / #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.76 % |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 50 mM Tris (pH=7.5), 0.2 M Ammonium Sulfate, 30% PEG 4000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97856 Å |
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: Apr 16, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97856 Å / Relative weight: 1 |
Reflection | Resolution: 2.99→50 Å / Num. obs: 61098 / % possible obs: 99.6 % / Redundancy: 3.79 % / Biso Wilson estimate: 69.72 Å2 / CC1/2: 0.995 / Rrim(I) all: 0.14 / Net I/σ(I): 8.86 |
Reflection shell | Resolution: 2.99→3.17 Å / Mean I/σ(I) obs: 1.52 / Num. unique obs: 9748 / CC1/2: 0.693 / Rrim(I) all: 0.901 / % possible all: 98.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1WDN Resolution: 2.99→41.9 Å / SU ML: 0.54 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 30.5656 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 66.58 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.99→41.9 Å
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Refine LS restraints |
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LS refinement shell |
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