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Open data
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Basic information
Entry | Database: PDB / ID: 2pcp | ||||||
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Title | ANTIBODY FAB COMPLEXED WITH PHENCYCLIDINE | ||||||
![]() | (IMMUNOGLOBULIN) x 2 | ||||||
![]() | IMMUNOGLOBULIN | ||||||
Function / homology | Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE / : ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Lim, K. / Owens, S.M. / Arnold, L. / Sacchettini, J.C. / Linthicum, D.S. | ||||||
![]() | ![]() Title: Crystal structure of monoclonal 6B5 Fab complexed with phencyclidine. Authors: Lim, K. / Owens, S.M. / Arnold, L. / Sacchettini, J.C. / Linthicum, D.S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 187.1 KB | Display | ![]() |
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PDB format | ![]() | 150.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 468.9 KB | Display | ![]() |
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Full document | ![]() | 520.7 KB | Display | |
Data in XML | ![]() | 47.1 KB | Display | |
Data in CIF | ![]() | 67.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Details | THERE ARE TWO FAB MOLECULES IN THE ASYMMETRIC UNIT. THE LIGHT CHAINS ARE NAMED A AND C, AND THE HEAVY CHAINS ARE NAMED B AND D. |
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Components
#1: Antibody | Mass: 23850.471 Da / Num. of mol.: 2 / Fragment: FAB / Source method: isolated from a natural source Details: COMPLEXED WITH 1-(1-PHENYLCYCLOHEXYL) PIPERIDINE (PCP, OR PHENCYCLIDINE) Source: (natural) ![]() ![]() #2: Antibody | Mass: 23247.877 Da / Num. of mol.: 2 / Fragment: FAB / Source method: isolated from a natural source Details: COMPLEXED WITH 1-(1-PHENYLCYCLOHEXYL) PIPERIDINE (PCP, OR PHENCYCLIDINE) Source: (natural) ![]() ![]() #3: Chemical | #4: Water | ChemComp-HOH / | Sequence details | THE FAB MOLECULES ARE NUMBERED ACCORDING TO KABAT (E.A.KABAT, T.T.WU, H.M.PERRY, K.S.GOTTESMAN, AND ...THE FAB MOLECULES ARE NUMBERED ACCORDING TO KABAT (E.A.KABAT, T.T.WU, H.M.PERRY, K.S.GOTTESMAN, AND C.FOELLER, SEQUENCES OF PROTEINS OF IMMUNOLOGI | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 46.33 % | ||||||||||||||||||||
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Crystal grow | pH: 4.6 / Details: pH 4.6 | ||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Wavelength: 1.5418 |
Detector | Type: MACSCIENCE / Detector: IMAGE PLATE / Date: Aug 1, 1997 / Details: MIRRORS |
Radiation | Monochromator: NI FILTER / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Highest resolution: 2.2 Å / Num. obs: 33694 / % possible obs: 79.3 % / Observed criterion σ(I): 1 / Redundancy: 2.1 % / Rmerge(I) obs: 0.091 / Rsym value: 0.091 / Net I/σ(I): 9.8 |
Reflection shell | Resolution: 2.2→2.4 Å / Redundancy: 2.1 % / Rmerge(I) obs: 0.221 / Mean I/σ(I) obs: 3.7 / Rsym value: 0.221 / % possible all: 63.5 |
Reflection | *PLUS Num. measured all: 69236 |
Reflection shell | *PLUS % possible obs: 63.5 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 4FAB AND 1GIG Resolution: 2.2→6 Å / Rfactor Rfree error: 0.017 / Data cutoff high absF: 100000 / Data cutoff low absF: 0.001 / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters | Biso mean: 23.2 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→6 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.199 / Rfactor Rfree: 0.286 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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