Hi Pavel,
I guess one which might a very good example for your requirements is Urease from sporosarcina pasteurii. The active side is covered by a “mobile flap” (chain C, residues 320- 340). Depending on the active site bound molecule (substrate analogue, inhibitor, …) the flap can occur in the open (for example: 4CEU) or in the closed conformation (for example: 6QDY). But in some cases both conformations are visible, for example (PDB:6H8J). These structure has a high resolution of 1,5 Å and nearly all atom positions are well defined, except the atoms in this flap. The loop is modeled in both alternative conformations with an occupancy of 0,6 for the closed and 0,4 for the open conformation. This is only one example, but I have seen many more with these Urease. Hope that helps. Best wishes, Miriam From: CCP4 bulletin board <[email protected]> On Behalf Of Pavel Afonine Sent: Mittwoch, 24. August 2022 00:02 To: [email protected] Subject: [ccp4bb] ISO model with large groups of atoms in alternative conformations Dear community, I’m looking for an example of a crystal structure where a large group of atoms (as large as a whole chain or even a domain) have more than one distinct conformation that would require modeling of such chain/domain as more than one individual copy, with each copy having partial occupancy. I’m not sure if that even exists but if someone can share an example that'd be very much appreciated! Thanks! Pavel ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
