PDBx/mmCIF
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Data Category pdbx_fraghub_investigation_screening_result

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General

Category name
pdbx_fraghub_investigation_screening_result
Required in PDB entries
no
Category group membership
fraghub_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

               The PDBX_FRAGHUB_INVESTIGATION_SCREENING_RESULTS category relates experiment records to the
               any fragment-binding specific information. This includes the list of any fragment(s)
               present, the assessment of the result, how that assessment was made, and any depositor
               provided details. An 'result' item also allows for the description of experiments with
               multiple fragment results.

Category Example

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loop_
_pdbx_fraghub_investigation_screening_result.screening_exp_id
_pdbx_fraghub_investigation_screening_result.result_id
_pdbx_fraghub_investigation_screening_result.outcome
_pdbx_fraghub_investigation_screening_result.fraglib_component_id
_pdbx_fraghub_investigation_screening_result.outcome_assessment
_pdbx_fraghub_investigation_screening_result.outcome_description
_pdbx_fraghub_investigation_screening_result.outcome_details
exp1  1        miss           ?   automatic   Unknown                     ? 
exp2  1        partial-hit    2   automatic   "Off-site binding"          ? 
exp3  1        hit            3   manual      "On-site binding"           ? 
exp3  2        partial-hit    3   manual      "Off-site binding"          ? 
exp4  1        partial-hit    4   refined     "On-site binding"           ? 
exp5  1        hit            5   refined     "Highest affinity hit"      ? 
exp6  1        miss           ?   manual      "No diffraction"            ? 
exp7  1        miss           ?   manual      "No diffraction"            ? 
exp8  1        miss           ?   manual      "Fragment unobserved"       ?

Key Data Items

Category Data Items

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