NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
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561608 |
2lsq   |
18440 | cing | 1-original | MR format | 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
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