NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
561615 |
2lsq   |
18440 | cing | 2-parsed | STAR | comment |
data_2lsq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lsq
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2lsq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lsq
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2lsq "Master copy" parsed_2lsq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lsq
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2lsq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lsq 1
1 2lsq.mr . . DYANA/DIANA 2 distance NOE simple 0 parsed_2lsq 1
1 2lsq.mr . . DYANA/DIANA 3 distance "general distance" simple 0 parsed_2lsq 1
1 2lsq.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2lsq 1
1 2lsq.mr . . DYANA/DIANA 5 distance NOE simple 0 parsed_2lsq 1
1 2lsq.mr . . DYANA/DIANA 6 distance "general distance" simple 0 parsed_2lsq 1
1 2lsq.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lsq 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2lsq
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER IMMUNE SYSTEM 04-MAY-12 2LSQ
*TITLE ANALOG OF THE FRAGMENT 197-221 OF BETA-1 ADRENORECEPTOR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ANALOG OF THE FRAGMENT 197-221 OF BETA-1 ADRENORECEPTOR;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: EXTRACELLULAR TOPOLOGICAL DOMAIN;
*COMPND 5 SYNONYM: BETA-1 ADRENORECEPTOR, BETA-1 ADRENOCEPTOR;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 4 ORGANISM_COMMON: HUMAN;
*SOURCE 5 ORGANISM_TAXID: 9606;
*SOURCE 6 OTHER_DETAILS: THE PEPTIDE WAS PREPARED BY AUTOMATIC SOLID PHASE
*SOURCE 7 SYNTHESIS (SPPS) USING THE FMOC STRATEGY STARTING FROM 0.25 MMOL OF
*SOURCE 8 COMMERCIAL N FMOC-LYS(BOC)-POLYMER (BACHEM, SWITZERLAND). A
*SOURCE 9 COPOLYMER OF STYRENE WITH 1% DIVINYLBENZENE WITH A
*SOURCE 10 HYDROXYMETHYLPHENYLOXYMETHYL ANCHORING GROUP (THE WANG-POLYMER) WAS
*SOURCE 11 USED AS A CARRIER. THE SIDE FUNCTIONS OF THE AMINO ACIDS WERE
*SOURCE 12 BLOCKED BY THE FOLLOWING PROTECTIVE GROUPS: BUT FOR HYDROXYL
*SOURCE 13 FUNCTIONS OF SER AND TYR; BUT FOR CARBOXYL FUNCTIONS OF ASP AND GLU;
*SOURCE 14 BOC FOR -AMINO FUNCTIONS OF LYS; TRT FOR CARBOXYLAMIDE GROUP OF ASN,
*SOURCE 15 SULFHYDRYL FUNCTIONS OF RESIDUES CYS198 AND CYS220; ACM FOR
*SOURCE 16 SULFHYDRYL FUNCTIONS OF RESIDUES CYS209 AND CYS215, AND PBF FOR
*SOURCE 17 GUANIDINE FUNCTION OF ARG. THE AMINO ACID CHAIN WAS ELONGATED
*SOURCE 18 STEPWISE STARTING FROM C-TERMINUS USING CARBODIIMIDE IN THE PRESENCE
*SOURCE 19 OF 1-HYDROXYBENZOTRIASOLE. WHEN THE SPPS WAS FINISHED, THE PEPTIDE
*SOURCE 20 WAS CLEAVED FROM CARRIER WITH THE SIMULTANEOUS REMOVAL OF THE ACID-
*SOURCE 21 LABILE PROTECTIVE GROUPS BY TREATMENT WITH TRIFLUORACETIC ACID WITH
*SOURCE 22 THE ADDITION OF WATER, TRIISOPROPYLSILANE AND DITHIOTHREITOLE. THE
*SOURCE 23 SYNTHESIZED [CYS(ACM)2]PEPTIDE WAS PURIFIED BY HPLC TO A PURITY 85-
*SOURCE 24 90%. THE INTRAMOLECULAR S-S BRIDGE BETWEEN CYS198 AND CYS220 WAS
*SOURCE 25 WITH HYDROGEN PEROXIDE AT PH 8. THE TARGET MONOCYCLIC INTERMEDIATE
*SOURCE 26 OF PEPTIDE WAS PURIFIED BY HPLC TO A PURITY 90-95%. THE PRODUCT WAS
*SOURCE 27 CHARACTERIZED BY MALDI-TOF MASS SPECTROMETRY. THE SECOND DISULFIDE
*SOURCE 28 BOND BETWEEN CYS209 AND CYS215 WAS FORMED BY THE TREATMENT OF
*SOURCE 29 MONOCYCLIC INTERMEDIATE [CYS(ACM)2]PEPTIDE WITH IODINE (FOR
*SOURCE 30 SIMULTANEOUS CLEAVAGE OF ACM GROUP AND FORMATION S-S BRIDGE) IN
*SOURCE 31 METHANOL. THE BICYCLIC TARGET PRODUCT WAS PURIFIED BY HPLC TO A
*SOURCE 32 PURITY 98% AND CHARACTERIZED BY MALDI-TOF MASS SPECTROMETRY.
*KEYWDS BETA1-ADRENORECEPTOR, MODIFIED EXTRACELLULAR LOOP 197-221,
*KEYWDS 2 AUTOANTIBODIES, CARDIOMYOPATHY, ARRHYTHMIA, IMMUNE SYSTEM
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR V.N.BUSHUEV, K.A.ZYKOV, Z.D.BESPALOVA, R.S.BIBILASHVILI, E.E.EFREMOV,
*AUTHOR 2 S.P.GOLITSYN, L.I.KAZNACHEEVA, T.V.KUZHETSOVA, P.S.LEVASHOV,
*AUTHOR 3 V.P.MASENKO, N.A.MIRONOVA, F.S.MOLOKOEDOV, P.N.RUTKEVICH,
*AUTHOR 4 A.V.RVACHEVA, T.V.SHARF, M.V.SIDOROVA, T.N.VLASIK, E.V.YANUSHEVSKAYA
*REVDAT 1 08-MAY-13 2LSQ 0
;
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 10:11:37 PM GMT (wattos1)