NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
2594 | 1c5a | 421 | cing | 1-original | MR format | comment |
*HEADER R1C5AMR 12-JUN-90 *COMPND DES-ARG==74==-COMPLEMENT C5A *SOURCE PIG (SUS $SCROFA $DOMESTICA) *EXPDTA NMR *AUTHOR M.P.WILLIAMSON,V.S.MADISON *COORDS 1C5A *REMARK *REMARK HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES *REMARK CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB *REMARK COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL. *REMARK BIOL. 52, 1 (1970)). THE PROTEIN DATA BANK HAS FOLLOWED *REMARK RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING *REMARK MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED *REMARK TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER *REMARK DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM *REMARK NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS *REMARK DENOTED AS 1HB). *REMARK *REMARK THE FOLLOWING IS A LIST OF HYDROGEN ATOMS WHICH HAVE BEEN *REMARK RENAMED TO FOLLOW THE RULES GIVEN ABOVE. *REMARK ATOM SERIAL OLD NEW *REMARK NUMBER IN ATOM ATOM *REMARK ORIGINAL NAME NAME *REMARK DATA *REMARK CONSTRAINTS ARE GIVEN IN A FORMAT SUITABLE FOR CHARMM. FOR DISTANCE CONSTRAINTS, THEY ARE GIVEN AS ATOM 1, ATOM 2, TARGET DISTANCE, LOWER BOUND ERROR, UPPER BOUND ERROR. FOR LEU 18, THE TWO DELTA METHYLS ARE DISTINGUISHED AS U AND D (UPFIELD AND DOWNFIELD) AND CHARMM SELECTED THE STEREOSPECIFIC ASSIGNMENT THAT BEST FITTED THE DATA. FOR VAL 48, THE TWO GAMMA METHYLS WERE STEREOSPECIFICALLY ASSIGNED BY INSPECTION AND GIVEN AS STEREOSPECIFIC ASSIGNMENTS IN THE CONSTRAINTS LIST. NON-UNIQUE ATOMS ARE GIVEN AS HB*, HD* ETC. IF THEY ARE PART OF A DIASTEREOTOPIC PAIR (INCLUDING PHE AND TYR AROMATICS), AND HB%, HG2%, ETC. IF THEY ARE METHYL PROTONS. !
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