Xenon in PDB 3cyu: Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon

All present enzymatic activity of Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon:
4.2.1.1;

The structure of Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon, PDB code: 3cyu was solved by J.A.Aaron, K.M.Jude, L.Di Costanzo, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.72 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.441, 49.985, 81.038, 90.00, 107.13, 90.00
R / Rfree (%)	22.6 / 24.9

The structure of Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Xenon atom in the Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon (pdb code 3cyu). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 2 binding sites of Xenon where determined in the Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon, PDB code: 3cyu:
Jump to Xenon binding site number: 1; 2;

Xenon binding site 1 out of 2 in the Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe265 b:44.3 occ:0.50 C07 A:0CR263 4.1 42.1 0.2 C06 A:0CR263 4.1 42.0 0.2 C60 A:1CR264 4.1 44.3 0.2 C02 A:0CR263 4.2 42.1 0.2 C09 A:1CR264 4.2 43.7 0.2 C10 A:1CR264 4.2 43.5 0.2 C24 A:1CR264 4.2 44.4 0.2 C05 A:0CR263 4.2 42.3 0.2 C03 A:0CR263 4.2 42.0 0.2 C14 A:1CR264 4.3 43.8 0.2 C21 A:0CR263 4.3 43.0 0.2 C16 A:0CR263 4.3 43.0 0.2 C04 A:0CR263 4.3 42.3 0.2 C11 A:1CR264 4.3 43.5 0.2 C25 A:1CR264 4.3 44.4 0.2 C07 A:1CR264 4.3 43.7 0.2 C13 A:1CR264 4.4 43.4 0.2 C23 A:1CR264 4.4 44.6 0.2 C09 A:0CR263 4.4 42.5 0.2 C12 A:1CR264 4.4 43.2 0.2 C16 A:1CR264 4.4 44.6 0.2 C21 A:1CR264 4.4 44.7 0.2 C02 A:1CR264 4.4 43.8 0.2 C25 A:0CR263 4.4 44.2 0.2 C24 A:0CR263 4.4 44.5 0.2 C56 A:0CR263 4.4 43.9 0.2 C17 A:0CR263 4.4 43.4 0.2 C20 A:0CR263 4.4 43.1 0.2 C14 A:0CR263 4.4 42.8 0.2 C42 A:1CR264 4.4 44.8 0.2 C41 A:1CR264 4.4 44.9 0.2 C70 A:0CR263 4.5 44.5 0.2 C06 A:1CR264 4.5 43.5 0.2 C41 A:0CR263 4.5 43.9 0.2 C17 A:1CR264 4.5 44.9 0.2 C20 A:1CR264 4.5 45.3 0.2 C40 A:0CR263 4.5 43.5 0.2 C42 A:0CR263 4.5 44.0 0.2 C38 A:0CR263 4.6 43.6 0.2 C37 A:0CR263 4.6 43.9 0.2 C26 A:0CR263 4.6 44.6 0.2 C39 A:0CR263 4.6 43.5 0.2 C26 A:1CR264 4.6 44.5 0.2 C23 A:0CR263 4.6 44.3 0.2 C18 A:0CR263 4.6 43.5 0.2 C19 A:0CR263 4.6 43.1 0.2 C37 A:1CR264 4.6 44.8 0.2 C28 A:1CR264 4.6 44.4 0.2 C34 A:0CR263 4.6 44.5 0.2 C03 A:1CR264 4.6 43.7 0.2 C51 A:1CR264 4.6 46.0 0.2 C40 A:1CR264 4.7 44.7 0.2 C34 A:1CR264 4.7 45.2 0.2 C52 A:0CR263 4.7 43.0 0.2 C18 A:1CR264 4.7 45.3 0.2 C19 A:1CR264 4.7 45.5 0.2 C10 A:0CR263 4.7 42.4 0.2 C27 A:1CR264 4.7 44.5 0.2 C35 A:0CR263 4.7 44.5 0.2 C46 A:1CR264 4.7 44.8 0.2 C35 A:1CR264 4.7 45.2 0.2 C27 A:0CR263 4.7 44.5 0.2 C08 A:0CR263 4.7 42.5 0.2 C05 A:1CR264 4.7 43.5 0.2 C33 A:1CR264 4.7 45.2 0.2 C28 A:0CR263 4.8 44.7 0.2 C30 A:1CR264 4.8 45.0 0.2 C13 A:0CR263 4.8 42.7 0.2 C33 A:0CR263 4.8 44.5 0.2 C08 A:1CR264 4.8 43.5 0.2 C38 A:1CR264 4.8 44.9 0.2 C59 A:0CR263 4.8 43.8 0.2 C04 A:1CR264 4.8 43.8 0.2 C31 A:1CR264 4.8 45.3 0.2 C32 A:1CR264 4.8 45.6 0.2 O09 A:1CR264 4.8 45.0 0.2 C39 A:1CR264 4.8 44.7 0.2 C01 A:0CR263 4.8 42.5 0.2 C15 A:0CR263 4.9 42.9 0.2 C30 A:0CR263 4.9 44.6 0.2 O09 A:0CR263 4.9 44.0 0.2 C52 A:1CR264 4.9 44.4 0.2 C47 A:0CR263 4.9 43.7 0.2 C22 A:1CR264 5.0 44.5 0.2 C01 A:1CR264 5.0 44.4 0.2 C32 A:0CR263 5.0 44.7 0.2 O02 A:0CR263 5.0 42.1 0.2

Xenon binding site 2 out of 2 in the Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Human Carbonic Anhydrase II Complexed with Cryptophane Biosensor and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe266 b:42.1 occ:0.37 CD2 A:PHE226 3.2 36.5 1.0 CE2 A:PHE226 3.4 37.4 1.0 CG A:PHE226 3.6 32.9 1.0 CG2 A:VAL223 3.7 35.0 1.0 CB A:ALA116 3.8 22.6 1.0 CA A:VAL223 3.9 29.8 1.0 CZ A:PHE226 4.0 34.9 1.0 CD2 A:LEU148 4.0 23.2 1.0 CB A:VAL223 4.0 31.9 1.0 CD1 A:PHE226 4.1 34.9 1.0 CB A:PHE226 4.2 30.4 1.0 CB A:TRP97 4.2 25.2 1.0 CE1 A:PHE226 4.3 34.6 1.0 CG A:TRP97 4.6 24.3 1.0 N A:VAL223 4.8 27.6 1.0 O A:VAL223 4.8 30.6 1.0 C A:VAL223 4.9 30.3 1.0 CG2 A:VAL218 5.0 24.3 1.0

J.A.Aaron, J.M.Chambers, K.M.Jude, L.Di Costanzo, I.J.Dmochowski, D.W.Christianson. Structure of A 129XE-Cryptophane Biosensor Complexed with Human Carbonic Anhydrase II. J.Am.Chem.Soc. V. 130 6942 2008.
ISSN: ISSN 0002-7863
PubMed: 18461940
DOI: 10.1021/JA802214X