Re: [ccp4bb] Help with interpreting Tyrosine modification

2022-02-01 Thread Jon Cooper
Hello, yes, that's right. We've all seen guanidinium groups parallel with aromatic rings and shielding them from solvent. I think it might approach that sort of arrangement in this case. Cheers, Jon.C. Sent from ProtonMail mobile Original Message On 1 Feb 2022, 16:52, Krieger,

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Re: [ccp4bb] Help with interpreting Tyrosine modification

2022-02-01 Thread Krieger, James M
Probably arginine and tyrosine do like each other a fair bit. They can form both cation-pi interactions and hydrogen bonds. Best wishes James On 1 Feb 2022, at 16:41, Jon Cooper <488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote: Hello, I did wonder if it might be an alternative conformatio

Re: [ccp4bb] Help with interpreting Tyrosine modification

2022-02-01 Thread Jon Cooper
Hello, I did wonder if it might be an alternative conformation for the quanidinium group of that nearby arginine. Being such high resolution, quite low occupancy groups would show up, I think, but it may just be too far away and I don't know how much tyrosine and arginine like each other! Sent

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Re: [ccp4bb] Help with interpreting Tyrosine modification

2022-02-01 Thread Misba Ahmad
Thank you for your suggestions. As this is a high resolution structure (1.1Å) I have been refining it with anisotropic B-factors. Placing a propionate or modelling a phosphate at this position blows up during the refinement. I will inform you if I am successful in figuring this out. Best Misbha