6tli
From Proteopedia
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|PDB= 6tli |SIZE=350|CAPTION= <scene name='initialview01'>6tli</scene>, resolution 2.10Å | |PDB= 6tli |SIZE=350|CAPTION= <scene name='initialview01'>6tli</scene>, resolution 2.10Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1tlx|1TLX]], [[2tlx|2TLX]], [[1tli|1TLI]], [[2tli|2TLI]], [[3tli|3TLI]], [[4tli|4TLI]], [[5tli|5TLI]], [[7tli|7TLI]], [[8tli|8TLI]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6tli FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tli OCA], [http://www.ebi.ac.uk/pdbsum/6tli PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=6tli RCSB]</span> | ||
}} | }} | ||
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[[Category: Groom, C R.]] | [[Category: Groom, C R.]] | ||
[[Category: Hubbard, R E.]] | [[Category: Hubbard, R E.]] | ||
| - | [[Category: CA]] | ||
| - | [[Category: DMS]] | ||
| - | [[Category: IPA]] | ||
| - | [[Category: ZN]] | ||
[[Category: hydrolase]] | [[Category: hydrolase]] | ||
[[Category: metalloproteinase]] | [[Category: metalloproteinase]] | ||
[[Category: organic solvent]] | [[Category: organic solvent]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:43:42 2008'' |
Revision as of 02:43, 31 March 2008
| |||||||
| , resolution 2.10Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , , | ||||||
| Activity: | Thermolysin, with EC number 3.4.24.27 | ||||||
| Related: | 1TLX, 2TLX, 1TLI, 2TLI, 3TLI, 4TLI, 5TLI, 7TLI, 8TLI
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS)
Overview
Multiple-solvent crystal structure determination (MSCS) allows the position and orientation of bound solvent fragments to be identified by determining the structure of protein crystals soaked in organic solvents. We have extended this technique by the determination of high-resolution crystal structures of thermolysin (TLN), generated from crystals soaked in 2% to 100% isopropanol. The procedure causes only minor changes to the conformation of the protein, and an increasing number of isopropanol interaction sites could be identified as the solvent concentration is increased. Isopropanol occupies all four of the main subsites in the active site, although this was only observed at very high concentrations of isopropanol for three of the four subsites. Analysis of the isopropanol positions shows little correlation with interaction energy computed using a molecular mechanics force field, but the experimentally determined positions of isopropanol are consistent with the structures of known protein-ligand complexes of TLN.
About this Structure
6TLI is a Single protein structure of sequence from Bacillus thermoproteolyticus. Full crystallographic information is available from OCA.
Reference
Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol., English AC, Done SH, Caves LS, Groom CR, Hubbard RE, Proteins. 1999 Dec 1;37(4):628-40. PMID:10651278
Page seeded by OCA on Mon Mar 31 05:43:42 2008
