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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
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36392 |
1ngr ![]() ![]() |
cing | 2-parsed | STAR | entry | full |
data_1ngr_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1ngr _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_1ngr 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1ngr _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 1ngr "Master copy" parsed_1ngr stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1ngr _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 1ngr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ngr 1 1 1ngr.mr . . "MR format" 2 stereochemistry prochirality "Not applicable" 0 parsed_1ngr 1 1 1ngr.mr . . n/a 3 "chemical shift" "Not applicable" "format 3" 0 parsed_1ngr 1 1 1ngr.mr . . "MR format" 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1ngr 1 1 1ngr.mr . . "MR format" 5 distance NOE simple 0 parsed_1ngr 1 1 1ngr.mr . . "MR format" 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ngr 1 1 1ngr.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ngr 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_1ngr _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 RECEPTOR 28-JAN-97 1NGR *TITLE DEATH DOMAIN OF P75 LOW AFFINITY NEUROTROPHIN RECEPTOR, *TITLE 2 RESIDUES 334 - 418, NMR, 20 STRUCTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: P75 LOW AFFINITY NEUROTROPHIN RECEPTOR; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: DEATH DOMAIN, RESIDUES 281 - 425; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; *SOURCE 3 ORGANISM_COMMON: RAT; *SOURCE 4 CELL: NERVE CELLS; *SOURCE 5 CELLULAR_LOCATION: CYTOPLASM; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_STRAIN: M15-(PREP4); *SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PQE31 *KEYWDS RECEPTOR, P75, INTRACELLULAR DOMAIN, NEUROTROPHIN RECEPTOR, *KEYWDS 2 DEATH DOMAIN *EXPDTA NMR, 20 STRUCTURES *AUTHOR G.OTTING,E.LIEPINSH *REVDAT 1 29-JUL-97 1NGR 0 HEADER NMR DATA FOR THE P75LNGFR DEATH DOMAIN 23-JANUARY-1997 1 COMPND INTRACELLULAR DOMAIN OF THE P75 LOW AFFINITY NEUROTROPHIN 2 COMPND RECEPTOR, RESIDUES 281 TO 425. RELAXATION DATA SHOWED THAT 3 COMPND THE STRUCTURED PART OF THE DOMAIN COMPRISES RESIDUES 336 TO 4 COMPND 416. THE DATA ARE GIVEN FOR RESIDUES 334 TO 418. 5 SOURCE RAT PROTEIN EXPRESSED IN E. COLI 6 AUTHOR E.LIEPINSH,L.ILAG,G.OTTING,C.IBANEZ 7 JNRL TITL NMR STRUCTURE OF THE DEATH DOMAIN OF THE P75 8 JNRL TITL 2 NEUROTROPHIN RECEPTOR 9 REMARK 1 13 REMARK 1 THIS FILE CONTAINS THE CHEMICAL SHIFTS, COUPLING CONSTANTS, 14 REMARK 1 DISTANCE AND DIHEDRAL ANGLE CONSTRAINTS USED IN THE 15 REMARK 1 DETERMINATION OF THE NMR STRUCTURE OF THE P75LNGFR DEATH 16 REMARK 1 DOMAIN. THE DATA WERE RECORDED AT PH 6.0 and 7.0, 28 DEGREES 17 REMARK 1 CENTIGRADE. THE CHEMICAL SHIFTS ARE LISTED FOR THE DATA AT 18 REMARK 1 PH 7.0. 19 REMARK 1 20 REMARK 1 RECORD CONTENT UNIT 21 REMARK 1 ------ ------------------------------------------- --------- 22 REMARK 1 STEREO STEREO-SPECIFIC RESONANCE ASSIGNMENTS. THE 23 REMARK 1 PART OF THE ATOM NAME COMMON TO THE STEREO- 24 REMARK 1 SPECIFICALLY ASSIGNED ATOM PAIRS IS GIVEN, 25 REMARK 1 E.G. HB FOR HB2 AND HB3. 26 REMARK 1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED ATOMS PPM 27 REMARK 1 JCOUPL VICINAL SCALAR COUPLING CONSTANTS HERTZ 28 REMARK 1 DETERMINED FOR 1H-1H COUPLINGS 29 REMARK 1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 30 REMARK 1 DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS 31 REMARK 1 NOELOW LOWER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS 32 REMARK 1 DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS 33 REMARK 1 ANGLE TORSION ANGLE CONSTRAINTS IN THE FORM OF DEGREES 34 REMARK 1 AN ALLOWED INTERVAL 35 REMARK 2 36 REMARK 2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE 37 REMARK 2 MASTER RECORD: 38 REMARK 2 39 REMARK 2 RECORD CONTENTS (FORTRAN FORMAT) 40 REMARK 2 ------ ----------------------------------------------------- 41 REMARK 2 STEREO RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, ATOM NAME, 42 REMARK 2 ATOM NAME 43 REMARK 2 ('STEREO',2X,A4,I4,3(1X,A3)) 44 REMARK 2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL 45 REMARK 2 SHIFT, ATOM NAME, CHEMICAL SHIFT, ATOM NAME, CHEMICAL 46 REMARK 2 SHIFT, ATOM NAME, CHEMICAL SHIFT 47 REMARK 2 ('SHIFTS',2X,A4,I4,2X,3(A4,1X,F6.2,3X),A4,1X,F6.2) 48 REMARK 2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM 49 REMARK 2 NAME, J-COUPLING CONSTANT, UNCERTAINTY OF J-COUPLING 50 REMARK 2 CONSTANT, FIRST AND SECOND ATOM NAME, J-COUPLING 51 REMARK 2 CONSTANT, UNCERTAINTY OF J-COUPLING CONSTANT 52 REMARK 2 ('JCOUPL',2X,A4,I4,2X,2(A4,1X,A4,2F6.2,3X)) 53 REMARK 2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM 54 REMARK 2 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 55 REMARK 2 SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM 56 REMARK 2 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER, 57 REMARK 2 SECOND ATOM NAME, UPPER DISTANCE LIMIT 58 REMARK 2 ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X)) 59 REMARK 2 ANGLE RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND 60 REMARK 2 UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND 61 REMARK 2 ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X)) 62 REMARK 2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS, 63 REMARK 2 NUMBER OF STEREO RECORDS, NUMBER OF SHIFTS RECORDS, 64 REMARK 2 NUMBER OF JCOUPL RECORDS, NUMBER OF NOEUPP RECORDS, 65 REMARK 2 NUMBER OF ANGLE RECORDS 66 REMARK 2 ('MASTER',4X,8I5) 67 REMARK 3 68 REMARK 3 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE 69 REMARK 3 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS 70 REMARK 3 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983) 71 REMARK 3 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL 72 REMARK 3 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR 73 REMARK 3 WHICH NO INDIVIDUAL ASSIGNMENTS HAD BEEN OBTAINED. 74 REMARK 4 75 REMARK 4 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE 76 REMARK 4 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN 77 REMARK 4 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ... 78 REMARK 4 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF 79 REMARK 4 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS 80 REMARK 4 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE 81 REMARK 4 HYDROGEN ATOMS ARE ATTACHED. QQG AND QQD DENOTE THE PSEUDO- 82 REMARK 4 ATOMS FOR THE 6 HYDROGEN ATOMS OF THE ISOPROPYL METHYL 83 REMARK 4 GROUPS OF VAL AND LEU, RESPECTIVELY. QQH DENOTES THE 84 REMARK 4 PSEUDOATOM FOR THE 4 HYDROGEN ATOMS 1HH1, 2HH1, 1HH2 AND 85 REMARK 4 2HH2 OF ARG. 86 REMARK 4 THE DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS OF 87 REMARK 4 TYR AND PHE ARE NAMED QD and QZ, RESPECTIVELY, IF THEY ARE 88 REMARK 4 PAIRWISE DEGENERATE, E.G. BECAUSE OF RING ROTATION. 89 ; save_
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