1qow
From Proteopedia
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== Structural highlights == | == Structural highlights == | ||
[[1qow]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_sp. Bacillus sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QOW OCA]. <br> | [[1qow]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_sp. Bacillus sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QOW OCA]. <br> | ||
| - | <b>Related:</b> [[1aj1|1aj1]], [[1mqx|1mqx]], [[1mqy|1mqy]], [[1mqz|1mqz]], [[1w9n|1w9n]], [[1wco|1wco]], [[2dde|2dde]], [[2ktn|2ktn]], [[2kto|2kto]]<br> | + | <b>[[Ligand|Ligands:]]</b> <scene name='pdbligand=MOH:METHANOL'>MOH</scene><br> |
| + | <b>[[Non-Standard_Residue|NonStd Res:]]</b> <scene name='pdbligand=DBB:D-ALPHA-AMINOBUTYRIC+ACID'>DBB</scene>, <scene name='pdbligand=DHA:2-AMINO-ACRYLIC+ACID'>DHA</scene>, <scene name='pdbligand=TEE:2-AMINO-ETHENETHIOL'>TEE</scene><br> | ||
| + | <b>[[Related_structure|Related:]]</b> [[1aj1|1aj1]], [[1mqx|1mqx]], [[1mqy|1mqy]], [[1mqz|1mqz]], [[1w9n|1w9n]], [[1wco|1wco]], [[2dde|2dde]], [[2ktn|2ktn]], [[2kto|2kto]]<br> | ||
<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br> | <b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br> | ||
| + | <b>Resources:</b> <span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1qow FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qow OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1qow RCSB], [http://www.ebi.ac.uk/pdbsum/1qow PDBsum]</span><br> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
The crystal structure of mersacidin, a potential novel antibiotic against methicillin- and vancomycin-resistant Staphylococcus aureus strains, has been determined by ab initio methods. Despite all crystals being merohedrally twinned, an accurate structural model with an R value of 13.4% has been obtained at atomic resolution. With six molecules in the asymmetric unit and no atom heavier than sulfur, the structure corresponds to a protein of 120 amino acids and is the largest approximately equal-atom unknown structure solved by direct methods. In the crystal, the molecule assumes a compact fold different from that found by NMR in solution. Comparison of the NCS-related molecules reveals regions of variable flexibility. The region highly homologous to the related antibiotic actagardine is very rigid and possibly defines an essential building block of this class of new antibacterial substances. | The crystal structure of mersacidin, a potential novel antibiotic against methicillin- and vancomycin-resistant Staphylococcus aureus strains, has been determined by ab initio methods. Despite all crystals being merohedrally twinned, an accurate structural model with an R value of 13.4% has been obtained at atomic resolution. With six molecules in the asymmetric unit and no atom heavier than sulfur, the structure corresponds to a protein of 120 amino acids and is the largest approximately equal-atom unknown structure solved by direct methods. In the crystal, the molecule assumes a compact fold different from that found by NMR in solution. Comparison of the NCS-related molecules reveals regions of variable flexibility. The region highly homologous to the related antibiotic actagardine is very rigid and possibly defines an essential building block of this class of new antibacterial substances. | ||
Revision as of 10:04, 30 April 2014
Mersacidin from Bacillus
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