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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28550 |
3eza   |
4264 | cing | 1-original | MR format | comment |
*HEADER COMPLEX (TRANSFERASE/PHOSPHOCARRIER) 03-NOV-98 3EZA *TITLE COMPLEX OF THE AMINO TERMINAL DOMAIN OF ENZYME I AND THE *TITLE 2 HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM *TITLE 3 ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PHOSPHOTRANSFERASE SYSTEM, ENZYME I; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: AMINO-TERMINAL DOMAIN RESIDUES 1 - 249; *COMPND 5 EC: 2.7.3.9; *COMPND 6 ENGINEERED: YES; *COMPND 7 MOL_ID: 2; *COMPND 8 MOLECULE: HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR; *COMPND 9 CHAIN: B; *COMPND 10 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; *SOURCE 3 STRAIN: GI698; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_PLASMID: PLP2; *SOURCE 6 MOL_ID: 2; *SOURCE 7 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; *SOURCE 8 STRAIN: GI698; *SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PSP100 *KEYWDS PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT, *KEYWDS 2 COMPLEX (TRANSFERASE/PHOSPHOCARRIER) *EXPDTA NMR, RESTRAINED REGULARIZED MEAN STRUCTURE *AUTHOR G.M.CLORE,D.S.GARRETT,A.M.GRONENBORN *REVDAT 1 25-MAY-99 3EZA 0 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : REMARK 210 (1) TRIPLE RESONANCE FOR ASSIGNMENT OF PROTEIN. REMARK 210 (2) QUANTITATIVE J CORRELATION FOR COUPLING CONSTANTS. REMARK 210 (3) 3D AND 4D HETERONUCLEAR SEPARATED AND FILTERED NOE EXPERIMENTS. REMARK 210 (4) IPAP EXPTS FOR DIPOLAR COUPLINGS REMARK 210 DIPOLAR COUPLINGS WERE MEASURED IN A NEMATIC PHASE OF A COLLOIDAL REMARK 210 SUSPENSION OF PHAGE FD (CLORE ET AL. 1998 J. AM. CHEM. SOC. 120, 10571-10572). REMARK 210 SPECTROMETER FIELD STRENGTH : 500, 600 AND 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX500, DMX600 AND DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS (SEE ABOVE) REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 REMARK 210 REMARK: REMARK 210 THE 3D STRUCTURE OF THE EIN-HPR COMPLEX WAS SOLVED BY MULTI-DIMENSIONAL REMARK 210 HETERONUCLEAR NMR AND IS BASED ON 5475 EXPERIMENTAL NMR REMARK 210 RESTRAINTS: REMARK 210 INTRAMOLECULAR EIN NOEs: 746 SEQUENTIAL (|I-J|1), 517 MEDIUM RANGE REMARK 210 (1 < |I-J <= 5), 436 LONG RANGE (|I-J|>5) INTERRESIDUE NOES REMARK 210 AND 486 INTRARESIDUE NOES. REMARK 210 INTRAMOLECULAR HPR NOEs: 247 SEQUENTIAL (|I-J|1), 167 MEDIUM RANGE REMARK 210 (1 < |I-J <= 5), 246 LONG RANGE (|I-J|>5) INTERRESIDUE NOES REMARK 210 AND 202 INTRARESIDUE NOES. REMARK 210 INTERMOLECULAR NOES BETWEEN EIN AND HPR: 117 REMARK 210 TORSION ANGLE RESTRAINTS 768 FOR EIN AND 170 FOR HPR REMARK 210 3JHNA COUPLING CONSTANT RESTRAINTS: 34 FOR HPR REMARK 210 13Calpha and 13Cbeta CHEMICAL SHIFT RESTRAINTS: 503 FOR EIN, 162 FOR HPR REMARK 210 ONE-BOND N-H DIPOLAR COUPLING CONSTANT RESTRAINTS: 165 FOR EIN AND 79 FOR HPR. REMARK 215 REMARK RESTRAINTS MARKED BY AN ASTERISK (*) WERE REMOVED FOR THE CALCULATION OF REMARK THE PHOSPHORYL TRANSITION STATE INTERMEDIATE. REMARK REMARK RESIDUE NUMBERING: EIN (1-259) and HPR (301-385).
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