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Yorodumi- PDB-4laj: Crystal structure of HIV-1 YU2 envelope gp120 glycoprotein in com... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4laj | |||||||||
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Title | Crystal structure of HIV-1 YU2 envelope gp120 glycoprotein in complex with CD4-mimetic miniprotein, M48U1, and llama single-domain, broadly neutralizing, co-receptor binding site antibody, JM4 | |||||||||
Components |
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Keywords | VIRAL PROTEIN/INHIBITOR / CD4-induced antibody / HIV-1 neutralizing antibody / HIV-1 gp120 reactive / VIRAL PROTEIN-INHIBITOR complex | |||||||||
Function / homology | Function and homology information Dectin-2 family / immunoglobulin complex / positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity / virus-mediated perturbation of host defense response / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / adaptive immune response / viral protein processing ...Dectin-2 family / immunoglobulin complex / positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity / virus-mediated perturbation of host defense response / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / adaptive immune response / viral protein processing / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / structural molecule activity / virion attachment to host cell / host cell plasma membrane / virion membrane / membrane Similarity search - Function | |||||||||
Biological species | Human immunodeficiency virus 1 Lama glama (llama) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.14 Å | |||||||||
Authors | Acharya, P. / Luongo, T.S. / Kwong, P.D. | |||||||||
Citation | Journal: J.Virol. / Year: 2013 Title: Heavy Chain-Only IgG2b Llama Antibody Effects Near-Pan HIV-1 Neutralization by Recognizing a CD4-Induced Epitope That Includes Elements of Coreceptor- and CD4-Binding Sites. Authors: Acharya, P. / Luongo, T.S. / Georgiev, I.S. / Matz, J. / Schmidt, S.D. / Louder, M.K. / Kessler, P. / Yang, Y. / McKee, K. / O'Dell, S. / Chen, L. / Baty, D. / Chames, P. / Martin, L. / ...Authors: Acharya, P. / Luongo, T.S. / Georgiev, I.S. / Matz, J. / Schmidt, S.D. / Louder, M.K. / Kessler, P. / Yang, Y. / McKee, K. / O'Dell, S. / Chen, L. / Baty, D. / Chames, P. / Martin, L. / Mascola, J.R. / Kwong, P.D. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4laj.cif.gz | 825.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4laj.ent.gz | 691.3 KB | Display | PDB format |
PDBx/mmJSON format | 4laj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/la/4laj ftp://data.pdbj.org/pub/pdb/validation_reports/la/4laj | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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2 |
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3 |
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4 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Dom-ID: 1 / Component-ID: 1 / End auth comp-ID: HOH / End label comp-ID: HOH
NCS ensembles :
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-Components
-Protein / Protein/peptide / Antibody / Sugars , 4 types, 47 molecules JFABKDGCHMLI
#1: Protein | Mass: 41695.406 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human immunodeficiency virus 1 / Strain: YU2 / Gene: Env / Cell line (production host): HEK-293F / Production host: Homo Sapiens (human) / References: UniProt: P35961*PLUS #2: Protein/peptide | #3: Antibody | Mass: 14010.511 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lama glama (llama) / Cell line (production host): HEK-293F / Production host: Homo Sapiens (human) / References: UniProt: A2KD57*PLUS #4: Sugar | ChemComp-NAG / |
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-Non-polymers , 3 types, 578 molecules
#5: Chemical | ChemComp-EDO / #6: Chemical | ChemComp-ACA / | #7: Water | ChemComp-HOH / | |
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-Details
Compound details | THE CD4-MIMETIC MINIPROTEINS INHIBIT HIV-1 ENTRY AND ARE DERIVED FROM SCYLLATOXIN (A SCORPION TOXIN) ...THE CD4-MIMETIC MINIPROTEI |
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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: 2.51 Å3/Da / Density % sol: 50.92 % |
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Crystal grow | Temperature: 298 K / pH: 8 Details: PEG 3000 28% w/v, 0.2 M lithium sulfate monohydrate, 0.1M imidazole, pH 8.0, 30% w/v 6-aminohexanoic acid , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 |
Detector | Type: MARMOSAIC 325 mm CCD / Detector: CCD / Details: SI (111) |
Radiation | Monochromator: SI 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.14→50 Å / Num. obs: 99049 / % possible obs: 78 % / Observed criterion σ(I): 2 / Redundancy: 4.5 % / Rsym value: 0.106 / Net I/σ(I): 11.4 |
Reflection shell | Resolution: 2.14→2.17 Å / Redundancy: 2.3 % / Mean I/σ(I) obs: 1.2 / Rsym value: 0.46 / % possible all: 45.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3ROM and 4JZZ Resolution: 2.14→38.8 Å / SU ML: 0.26 / Isotropic thermal model: Isotropic / σ(F): 1.34 / Phase error: 27.88 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.14→38.8 Å
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Refine LS restraints |
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Refine LS restraints NCS |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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