+Open data
-Basic information
Entry | Database: PDB / ID: 2hrp | ||||||
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Title | ANTIGEN-ANTIBODY COMPLEX | ||||||
Components |
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Keywords | COMPLEX (IMMUNOGLOBULIN/PEPTIDE) / FAB FRAGMENT / CROSS-REACTIVITY / HIV1 PROTEASE / ENZYME INHIBITION / COMPLEX (IMMUNOGLOBULIN-PEPTIDE) / COMPLEX (IMMUNOGLOBULIN-PEPTIDE) complex | ||||||
Function / homology | Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / : / : Function and homology information | ||||||
Biological species | Mus musculus (house mouse) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Lescar, J. / Bentley, G.A. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 1997 Title: Three-dimensional structure of an Fab-peptide complex: structural basis of HIV-1 protease inhibition by a monoclonal antibody. Authors: Lescar, J. / Stouracova, R. / Riottot, M.M. / Chitarra, V. / Brynda, J. / Fabry, M. / Horejsi, M. / Sedlacek, J. / Bentley, G.A. #1: Journal: Protein Sci. / Year: 1996 Title: Preliminary Crystallographic Studies of an Anti-HIV-1 Protease Antibody that Inhibits Enzyme Activity Authors: Lescar, J. / Stouracova, R. / Riottot, M.M. / Chitarra, V. / Brynda, J. / Fabry, M. / Horejsi, M. / Sedlacek, J. / Bentley, G.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2hrp.cif.gz | 185.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2hrp.ent.gz | 149.9 KB | Display | PDB format |
PDBx/mmJSON format | 2hrp.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2hrp_validation.pdf.gz | 465.9 KB | Display | wwPDB validaton report |
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Full document | 2hrp_full_validation.pdf.gz | 491.2 KB | Display | |
Data in XML | 2hrp_validation.xml.gz | 39.5 KB | Display | |
Data in CIF | 2hrp_validation.cif.gz | 56 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hr/2hrp ftp://data.pdbj.org/pub/pdb/validation_reports/hr/2hrp | HTTPS FTP |
-Related structure data
Related structure data | 1mf2C 1fbiS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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3 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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-Components
#1: Antibody | Mass: 23981.467 Da / Num. of mol.: 2 / Fragment: FAB FRAGMENT / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse) / Cell line: HYBRIDOMA / Strain: BALB/C / References: GenBank: 600718 #2: Antibody | Mass: 24336.324 Da / Num. of mol.: 2 / Fragment: FAB FRAGMENT / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse) / Cell line: HYBRIDOMA / Strain: BALB/C / References: GenBank: 600716 #3: Protein/peptide | Mass: 1202.491 Da / Num. of mol.: 2 / Fragment: RESIDUES 36 - 46 Source method: isolated from a genetically manipulated source #4: Water | ChemComp-HOH / | |
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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: 2.12 Å3/Da / Density % sol: 41.89 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 8 / Details: pH 8.0 | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 17 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Nov 3, 1995 |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→100 Å / Num. obs: 49323 / % possible obs: 99.5 % / Observed criterion σ(I): 0 / Redundancy: 4.7 % / Biso Wilson estimate: 24 Å2 / Rmerge(I) obs: 0.113 / Rsym value: 0.113 / Net I/σ(I): 11 |
Reflection shell | Resolution: 2.1→2.18 Å / Redundancy: 4.5 % / Rmerge(I) obs: 0.48 / Mean I/σ(I) obs: 1.5 / Rsym value: 0.48 / % possible all: 98.7 |
Reflection shell | *PLUS % possible obs: 98.7 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1FBI Resolution: 2.2→7 Å / Rfactor Rfree error: 0.03 / Data cutoff high absF: 100000000 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 3
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Displacement parameters | Biso mean: 20.4 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.2→7 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.3 Å / Rfactor Rfree error: 0.05 / Total num. of bins used: 8
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Xplor file |
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Software | *PLUS Name: X-PLOR / Version: 3.1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Num. reflection obs: 35173 / Rfactor all: 0.217 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor obs: 0.25 |