NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
28762 |
9pcy   |
cing | 1-original | MR format | comment |
*HEADER ELECTRON TRANSPORT 18-MAR-91 9PCY *COMPND PLASTOCYANIN (REDUCED FORM) (NMR, 16 STRUCTURES) *SOURCE FRENCH BEAN (PHASEOLUS VULGARIS) *AUTHOR J.M.MOORE,C.A.LEPRE,G.P.GIPPERT,W.J.CHAZIN,D.A.CASE, *AUTHOR 2 P.E.WRIGHT *REVDAT 1 31-OCT-93 9PCY 0 REMARK 2 REMARK 3 REMARK 3 FRENCH BEAN PC NMR RESTRAINTS USED IN STRUCTURE DETERMINATION. REMARK 3 COMPLETE LIST OF HYDROGEN-BOND, NOE AND DIHEDRAL ANGLE REMARK 3 CONSTRAINTS. REMARK 3 REMARK 3 HYDROGEN BONDS-- REMARK 3 21 HYDROGEN BOND DISTANCE CONSTRAINTS WERE USED FOR REMARK 3 *DISGEO* CALCULATIONS. NO HYDROGEN BOND CONSTRAINTS WERE REMARK 3 USED FOR *AMBER* RESTRAINED ENERGY MINIMIZATION OR REMARK 3 DYNAMICS CALCULATIONS. REMARK 3 REMARK 3 DISTANCE BOUNDS (A) REMARK 3 DONOR ACCEPTOR LOWER UPPER REMARK 3 ------------------------------------------------ REMARK 3 H O 1.8 2.0 REMARK 3 N O 2.7 3.0 REMARK 3 REMARK 3 DONOR ACCEPTOR REMARK 3 --------------------------- REMARK 3 3 VAL 28 VAL REMARK 3 4 LEU 15 VAL REMARK 3 5 LEU 30 LYS REMARK 3 6 GLY 13 VAL REMARK 3 15 VAL 4 LEU REMARK 3 19 PHE 95 LYS REMARK 3 27 ILE 72 VAL REMARK 3 29 PHE 70 TYR REMARK 3 30 LYS 3 VAL REMARK 3 40 VAL 83 TYR REMARK 3 63 LEU 37 HIS REMARK 3 70 TYR 29 PHE REMARK 3 72 VAL 27 ILE REMARK 3 80 TYR 96 VAL REMARK 3 82 PHE 94 GLY REMARK 3 83 TYR 40 VAL REMARK 3 94 GLY 82 PHE REMARK 3 95 LYS 17 SER REMARK 3 96 VAL 80 TYR REMARK 3 97 THR 19 PHE REMARK 3 98 VAL 78 GLY REMARK 3 REMARK 3 DIHEDRAL ANGLE CONSTRAINTS-- REMARK 3 PHI DIHEDRAL ANGLE CONSTRAINTS ARE DERIVED FROM MEASURED REMARK 3 3JHNA SCALAR COUPLING CONSTANTS. REMARK 3 REMARK 3 CHI1 DIHEDRAL ANGLE CONSTRAINTS ARE DERIVED FROM MEASURED REMARK 3 3JAB SCALAR COUPLING CONSTANTS AND INTRA-RESIDUE AND REMARK 3 SEQUENTIAL NOES. REMARK 3 REMARK 3 BOTH *DISGEO* AND *AMBER* CALCULATIONS UTILIZE THESE REMARK 3 DIHEDRAL ANGLE CONSTRAINTS, THOUGH FOR *DISGEO* THE REMARK 3 PHI CONSTRAINTS GIVEN BELOW AS -90 < PHI < 40 ARE GIVEN REMARK 3 A MORE RESTRICTIVE RANGE -90 < PHI < -40. SEE REFERENCE REMARK 3 2 FOR MORE DETAILS. REMARK 3 REMARK 3 DIHEDRAL CONSTRAINTS USED FOR FINAL STRUCTURE REFINEMENT REMARK 3 - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Contact the webmaster for help, if required. Saturday, April 27, 2024 12:59:24 PM GMT (wattos1)