Xenon in PDB 1k4k: Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase

All present enzymatic activity of Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase:
2.7.7.18;

The structure of Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase, PDB code: 1k4k was solved by H.Zhang, T.Zhou, O.Kurnasov, S.Cheek, N.V.Grishin, A.L.Osterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.435, 66.528, 72.855, 72.68, 88.77, 69.55
R / Rfree (%)	21 / 26.2

The binding sites of Xenon atom in the Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase (pdb code 1k4k). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 4 binding sites of Xenon where determined in the Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase, PDB code: 1k4k:
Jump to Xenon binding site number: 1; 2; 3; 4;

Xenon binding site 1 out of 4 in the Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe630 b:54.8 occ:1.00 O A:HOH744 3.2 39.0 1.0 CE1 A:PHE104 3.7 34.0 1.0 O A:HOH644 3.9 32.3 1.0 CD1 A:PHE104 4.0 33.4 1.0 CG2 A:THR88 4.1 33.3 1.0 CD1 A:ILE38 4.1 33.0 1.0 CB A:ILE38 4.2 27.7 1.0 CB A:LEU7 4.3 26.5 1.0 CB A:THR88 4.3 36.1 1.0 N A:GLY9 4.4 23.1 1.0 CA A:GLY9 4.4 23.0 1.0 CG2 A:ILE38 4.5 28.4 1.0 CZ A:PHE104 4.6 35.9 1.0 OG1 A:THR88 4.7 30.2 1.0 CG1 A:ILE38 4.7 27.4 1.0 CG2 A:THR85 4.7 37.5 1.0 OG1 A:THR85 4.8 39.7 1.0 C A:PHE8 4.9 21.3 1.0 N A:PHE8 4.9 21.5 1.0 C A:LEU7 5.0 24.3 1.0

Xenon binding site 2 out of 4 in the Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe631 b:86.2 occ:1.00 CD2 A:LEU20 3.1 28.7 1.0 CD1 A:ILE37 3.2 19.9 1.0 CG2 A:VAL15 3.7 19.0 1.0 CE1 A:PHE8 3.7 27.5 1.0 CG A:LEU20 3.8 30.0 1.0 CD1 A:ILE64 4.1 28.0 1.0 CD1 A:PHE8 4.1 25.8 1.0 CD2 A:LEU60 4.1 24.3 1.0 CB A:HIS19 4.3 22.0 1.0 CE2 A:PHE12 4.3 25.9 1.0 CG1 A:ILE37 4.4 22.9 1.0 CA A:LEU20 4.4 22.1 1.0 N A:LEU20 4.4 19.6 1.0 CB A:LEU20 4.5 25.0 1.0 C A:HIS19 4.6 21.6 1.0 CE2 A:PHE70 4.6 25.1 1.0 CD2 A:PHE12 4.8 23.3 1.0 O A:HIS19 4.8 21.9 1.0 CZ A:PHE8 4.8 27.1 1.0 CZ A:PHE12 4.9 24.3 1.0 CZ A:PHE70 4.9 27.6 1.0

Xenon binding site 3 out of 4 in the Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 3 of Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Xe632 b:1.0 occ:1.00 O B:GLY18 4.0 26.9 1.0 CZ B:PHE8 4.2 28.2 1.0 O B:HIS19 4.2 23.1 1.0 SG B:CYS132 4.3 32.1 1.0 CB B:CYS132 4.3 31.9 1.0 CE1 B:PHE8 4.4 27.9 1.0 CA B:GLY107 4.5 41.5 1.0 CG2 B:VAL23 4.5 24.2 1.0 CA B:HIS19 4.6 22.3 1.0 CB B:PRO22 4.7 22.8 1.0 CG B:PRO22 4.7 24.9 1.0 N B:GLY107 4.7 36.9 1.0 C B:HIS19 4.9 21.7 1.0

Xenon binding site 4 out of 4 in the Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 4 of Crystal Structure of E. Coli Nicotinic Acid Mononucleotide Adenylyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ C:Xe633 b:0.1 occ:1.00 O C:HOH709 3.9 27.9 1.0 CZ C:PHE8 4.2 26.2 1.0 CE1 C:PHE8 4.2 27.7 1.0 O C:GLY18 4.4 21.2 1.0 SG C:CYS132 4.4 29.0 1.0 O C:HIS19 4.5 25.1 1.0 CB C:CYS132 4.6 25.9 1.0 CG2 C:VAL23 4.6 18.2 1.0 CA C:HIS19 4.8 24.4 1.0 CA C:GLY107 4.8 29.7 1.0 N C:GLY107 4.8 28.0 1.0 C C:ILE106 4.9 30.4 1.0

H.Zhang, T.Zhou, O.Kurnasov, S.Cheek, N.V.Grishin, A.Osterman. Crystal Structures of E. Coli Nicotinate Mononucleotide Adenylyltransferase and Its Complex with Deamido-Nad. Structure V. 10 69 2002.
ISSN: ISSN 0969-2126
PubMed: 11796112
DOI: 10.1016/S0969-2126(01)00693-1