Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

2020-07-24 Thread Oleg Kovalevskiy - UKRI STFC
] Re: [ccp4bb] Modeling ATP/ADP Tried the homologues thing. There are homologues and I've done the fitting, but this is what I consider to be subjective. I'm certain the referee will ask: Given the quality of density for the nucleotide, how certain are the authors that a different

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread LMB
NY 10031 >> From: CCP4 bulletin board on behalf of Jon Cooper >> <488a26d62010-dmarc-requ...@jiscmail.ac.uk> >> Sent: Thursday, July 23, 2020 1:07 PM >> To: CCP4BB@JISCMAIL.AC.UK >> Subject: [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP >> >> Hello, do you hav

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread LMB
ent of Chemistry and Biochemistry > New York, NY 10031 > From: CCP4 bulletin board on behalf of Jon Cooper > <488a26d62010-dmarc-requ...@jiscmail.ac.uk> > Sent: Thursday, July 23, 2020 1:07 PM > To: CCP4BB@JISCMAIL.AC.UK > Subject: [EXTERNAL] Re: [ccp4bb] Modeling

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread Andrew Leslie
College of New York > Department of Chemistry and Biochemistry > New York, NY 10031 > From: CCP4 bulletin board on behalf of Jon Cooper > <488a26d62010-dmarc-requ...@jiscmail.ac.uk> > Sent: Thursday, July 23, 2020 1:07 PM > To: CCP4BB@JISCMAIL.AC.UK > Subject: [EXTERNAL] Re:

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread Reza Khayat
: Thursday, July 23, 2020 1:07 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP Hello, do you have any homologues in the PDB with ATP, etc, bound as a guide? Coot is pretty good at fitting known ligands, and unknown ones, too! Original Message On 23

Re: [ccp4bb] Modeling ATP/ADP

2020-07-23 Thread Jon Cooper
Hello, do you have any homologues in the PDB with ATP, etc, bound as a guide? Coot is pretty good at fitting known ligands, and unknown ones, too! Original Message On 23 Jul 2020, 17:53, Reza Khayat wrote: > Hi, > > Can folks suggest programs for objectively docking ATP/ADP mol

[ccp4bb] Modeling ATP/ADP

2020-07-23 Thread Reza Khayat
Hi, Can folks suggest programs for objectively docking ATP/ADP molecules into density? Our density is not so good, probably because of occupancy, and we'd like a less subjecting approach for modeling. Thanks. Best wishes, Reza Reza Khayat, PhD Assistant Professor City College of New York De