NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type |
2687 | 1cfe | 4301 | cing | recoord | 1-original | MR format | comment |
*HEADER PATHOGENESIS-RELATED PROTEIN 08-NOV-96 1CFE *TITLE P14A, NMR, 20 STRUCTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PATHOGENESIS-RELATED PROTEIN P14A; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: RESIDUES 1 - 135; *COMPND 5 SYNONYM: PATHOGENESIS-RELATED LEAF PROTEIN 6, ETHYLENE *COMPND 6 INDUCED PROTEIN P1, P14; *COMPND 7 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: LYCOPERSICON ESCULENTUM; *SOURCE 3 ORGANISM_COMMON: TOMATO; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI *KEYWDS PATHOGENESIS-RELATED PROTEIN, PR-1 PROTEINS, *KEYWDS 2 PLANT DEFENSE *EXPDTA NMR, 20 STRUCTURES *AUTHOR C.FERNANDEZ,T.SZYPERSKI,T.BRUYERE,P.RAMAGE,E.MOSINGER, *AUTHOR 2 K.WUTHRICH *REVDAT 1 12-NOV-97 1CFE 0 JRNL AUTH C.FERNANDEZ,T.SZYPERSKI,T.BRUYERE,P.RAMAGE, JRNL AUTH 2 E.MOSINGER,K.WUTHRICH JRNL TITL NMR SOLUTION STRUCTURE OF THE PATHOGENESIS-RELATED JRNL TITL 2 PROTEIN P14A JRNL REF J.MOL.BIOL. V. 266 576 1997 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REMARK 1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION REMARK 1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE PATHOGENESIS- REMARK 1 RELATED PROTEIN P14A FROM TOMATO BY NUCLEAR MAGNETIC REMARK 1 RESONANCE SPECTROSCOPY IN SOLUTION REMARK 2 REMARK 2 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE REMARK 2 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS. THEY ARE REMARK 2 PLACED IN THE CENTER OF THE POSITIONS OF THE HYDROGEN ATOMS REMARK 2 THEY REPRESENT. QA REPRESENTS THE TWO METHYLENE HYDROGEN REMARK 2 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ... REMARK 2 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF REMARK 2 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS REMARK 2 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE REMARK 2 HYDROGEN ATOMS ARE ATTACHED. REMARK 2 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN REMARK 2 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU. REMARK 2 QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON HYDROGENS REMARK 2 OF THE AROMATIC RINGS OF TYR AND PHE. REMARK 2 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983) REMARK 2 VOL. 169, 949-961) REMARK 2 REMARK 3 DISTANCE GEOMETRY CALCULATIONS WERE PERFORMED WITH THE REMARK 3 PROGRAM DIANA (P.GUENTERT, W.BRAUN, K.WUTHRICH, J.MOL.BIOL. REMARK 3 (1991) VOL. 217, 517-530). FOR THE RESTRAINED ENERGY REMARK 3 MINIMIZATION THE PROGRAM OPAL (P.LUGINBUHL ET AL.,1996, REMARK 3 TO BE PUBLISHED) WAS USED. FOR THE PRESENT STRUCTURES REMARK 3 THE NMR DISTANCE CONSTRAINTS WERE WEIGHTED SUCH THAT A REMARK 3 VIOLATION OF AN UPPER DISTANCE LIMIT OF 0.1 ANGSTROM REMARK 3 CORRESPONDS TO AN ENERGY OF KT/2. THE CONSTRAINTS ON REMARK 3 DIHEDRAL ANGLES RESULTING FROM MEASUREMENTS OF VICINAL REMARK 3 COUPLING CONSTANTS WERE WEIGHTED SUCH THAT A VIOLATION OF REMARK 3 2.5 DEGREES CORRESPONDS TO AN ENERGY OF KT/2. REMARK 3 REMARK 4 NOE UPPER AND LOWER DISTANCE CONSTRAINTS, AND ANGLE REMARK 4 CONSTRAINTS ARE GIVEN IN THE FORMAT FOR THE PROGRAMS DIANA REMARK 4 (P. GUNTERT, W. BRAUN, AND K. WUTHRICH (1991) J. MOL. BIOL. REMARK 4 VOL. 217, 517-530) AND HABAS (P. GUNTERT, W. BRAUN REMARK 4 M. BILLETER, AND K. WUTHRICH (1989) J. AM. CHEM. SOC. REMARK 4 VOL. 111, 3997-4004) REMARK 4 REMARK 5 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES IN ANGSTROMS REMARK 5 DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS REMARK 5 NOELOW LOWER LIMITS FOR INTERATOMIC DISTANCES IN ANGSTROMS REMARK 5 USED TO CONSTRAINTS THE ATOMS INVOLVED IN DISULFIDE REMARK 5 BONDS REMARK 5 ANGCON ANGLE CONSTRAINTS IN HABAS FORMAT REMARK 5 REMARK 6 RECORD CONTENTS: REMARK 6 NOEUPP FIRST RESIDUE NUMBER, FIRST RESIDUE NAME, FIRST ATOM REMARK 6 NAME, SECOND RESIDUE NUMBER, SECOND RESIDUE NAME, REMARK 6 SECOND ATOM NAME, UPPER DISTANCE LIMIT IN ANGSTROM REMARK 6 NOELOW FIRST RESIDUE NUMBER, FIRST RESIDUE NAME, FIRST ATOM REMARK 6 NAME, SECOND RESIDUE NUMBER, SECOND RESIDUE NAME, REMARK 6 SECOND ATOM NAME, LOWER DISTANCE LIMIT IN ANGSTROM REMARK 6 ANGCON RESIDUE NUMBER, RESIDUE NAME, DIHEDRAL ANGLE, DIHEDRAL REMARK 6 ANGLE CONSTRAINT IN DEGREES REMARK 6 NOEUPP NOEUPP UPPER LIMIT CONSTRAINTS NOEUPP
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