Chlorine in PDB 5nyw: Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri

The structure of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri, PDB code: 5nyw was solved by A.Piasecka, H.Czapinska, M.Vielberg, R.H.Szczepanowski, S.Reed, M.Groll, M.Bochtler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.19 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	95.535, 285.371, 179.213, 90.00, 91.78, 90.00
R / Rfree (%)	18.3 / 23

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri (pdb code 5nyw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri, PDB code: 5nyw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:78.2 occ:1.00 NH2 C:ARG64 2.5 79.1 1.0 NE C:ARG65 3.6 69.3 1.0 NH2 C:ARG65 3.7 51.5 1.0 CZ C:ARG64 3.8 90.0 1.0 CZ C:ARG65 4.1 65.4 1.0 OE1 C:GLN71 4.2 84.2 1.0 NE2 C:GLN71 4.4 89.9 1.0 NH1 C:ARG64 4.5 80.8 1.0 CG C:ARG65 4.6 54.9 1.0 CD C:ARG65 4.7 60.5 1.0 NE C:ARG64 4.7 85.5 1.0 CD C:GLN71 4.7 82.8 1.0 CD C:ARG64 4.8 68.8 1.0

Chlorine binding site 2 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:78.9 occ:1.00 NH1 D:ARG64 3.3 0.5 1.0 NE D:ARG65 3.9 57.2 1.0 NE2 D:GLN71 4.1 67.0 1.0 NH2 D:ARG65 4.1 54.8 1.0 CZ D:ARG64 4.2 0.3 1.0 OE1 D:GLN71 4.3 73.8 1.0 CZ D:ARG65 4.4 51.1 1.0 NE D:ARG64 4.5 0.6 1.0 CD D:GLN71 4.6 74.0 1.0 CG D:ARG65 4.8 58.0 1.0 CD D:ARG65 4.9 62.8 1.0

Chlorine binding site 3 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl303 b:60.4 occ:1.00 O C:HOH465 3.1 59.9 1.0 NE D:ARG160 3.4 65.4 1.0 O D:HOH461 3.5 45.3 1.0 O C:HOH482 3.6 58.5 1.0 N D:ILE157 3.7 45.4 1.0 CB D:PRO156 3.7 41.2 1.0 C D:PRO156 3.8 49.0 1.0 CA D:ILE157 3.8 45.2 1.0 CD2 C:LEU229 3.9 49.6 1.0 O D:PRO156 4.1 56.3 1.0 O D:HOH442 4.1 55.5 1.0 CB D:ILE157 4.2 48.5 1.0 NH2 D:ARG160 4.2 50.0 1.0 CD D:ARG160 4.2 73.8 1.0 CZ D:ARG160 4.3 62.9 1.0 CD1 D:ILE157 4.4 41.5 1.0 O D:HOH405 4.4 68.7 1.0 CA D:PRO156 4.4 47.0 1.0 OG C:SER181 4.4 72.9 1.0 O C:HOH402 4.6 62.5 1.0 O C:HOH467 4.8 29.6 1.0 CG1 D:ILE157 4.9 46.4 1.0 CB D:ARG160 5.0 42.0 1.0 CG D:PRO156 5.0 46.2 1.0

Chlorine binding site 4 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl301 b:90.2 occ:1.00 O I:UNK301 2.4 54.0 1.0 N G:GLN141 3.4 78.0 1.0 O I:HOH426 3.4 71.3 1.0 CB G:THR140 3.5 70.4 1.0 CG G:GLN141 3.6 81.5 1.0 CA G:THR140 3.9 73.2 1.0 CB G:GLN141 4.1 67.7 1.0 CG2 G:THR140 4.2 74.2 1.0 C G:THR140 4.2 82.1 1.0 CD G:GLN141 4.2 78.8 1.0 O I:HOH405 4.2 60.5 1.0 NH1 I:ARG31 4.2 0.3 1.0 CA G:GLN141 4.4 73.8 1.0 NE2 G:GLN141 4.4 76.4 1.0 OG1 G:THR140 4.5 82.0 1.0 OE1 G:GLN141 4.9 80.7 1.0

Chlorine binding site 5 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl302 b:87.6 occ:1.00 NE K:ARG65 3.8 81.0 1.0 NH2 K:ARG65 3.9 69.1 1.0 OE1 K:GLN71 4.1 79.6 1.0 NE2 K:GLN71 4.2 90.0 1.0 CZ K:ARG65 4.3 73.7 1.0 CD K:GLN71 4.6 84.0 1.0 CG K:ARG65 4.7 75.5 1.0 CD K:ARG65 4.8 77.6 1.0

Chlorine binding site 6 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl303 b:87.9 occ:1.00 O I:HOH445 2.9 59.6 1.0 NH2 K:ARG31 3.4 92.9 1.0 NE K:ARG31 3.4 72.8 1.0 CB I:THR140 3.6 75.4 1.0 CZ K:ARG31 3.9 82.6 1.0 OG1 I:THR140 4.1 75.8 1.0 N I:GLN141 4.2 66.3 1.0 CG2 I:THR140 4.2 60.4 1.0 OD2 I:ASP142 4.3 80.3 1.0 CB K:ARG31 4.5 54.4 1.0 CD K:ARG31 4.6 67.1 1.0 CA I:THR140 4.7 65.2 1.0 CG K:ARG31 4.7 64.0 1.0 CB I:GLN141 4.9 75.7 1.0 C I:THR140 4.9 71.1 1.0

Chlorine binding site 7 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl303 b:86.2 occ:1.00 O L:HOH460 3.3 57.5 1.0 NH2 L:ARG222 3.7 71.6 1.0 O L:HOH458 3.8 68.1 1.0 CB L:LEU183 4.0 45.6 1.0 O L:LEU183 4.0 78.9 1.0 O L:HOH470 4.1 73.4 1.0 C L:LEU183 4.3 66.3 1.0 NH1 L:ARG222 4.3 78.1 1.0 CZ L:ARG222 4.5 71.6 1.0 O L:HOH424 4.6 43.1 1.0 CA L:LEU183 4.7 47.6 1.0 CD2 L:LEU183 4.8 48.5 1.0 N L:ARG184 4.8 59.7 1.0 CG L:LEU183 4.9 44.8 1.0

Chlorine binding site 8 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ M:Cl301 b:85.1 occ:1.00 NE M:ARG65 3.6 57.1 1.0 OE1 M:GLN71 3.9 64.3 1.0 NH2 M:ARG65 3.9 59.3 1.0 NE2 M:GLN71 4.2 78.2 1.0 CZ M:ARG65 4.2 64.7 1.0 CD M:GLN71 4.5 69.9 1.0 CG M:ARG65 4.5 57.8 1.0 CD M:ARG65 4.7 59.2 1.0

Chlorine binding site 9 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl303 b:79.5 occ:1.00 NH1 P:ARG64 3.0 91.9 1.0 NH2 P:ARG65 3.7 60.1 1.0 NE P:ARG65 3.8 50.4 1.0 CZ P:ARG64 3.9 93.5 1.0 NH2 P:ARG64 3.9 94.9 1.0 NE2 P:GLN71 4.1 54.8 1.0 CZ P:ARG65 4.2 57.2 1.0 OE1 P:GLN71 4.4 60.9 1.0 CD P:GLN71 4.7 64.2 1.0 CG P:ARG65 4.8 60.3 1.0 CD P:ARG65 4.9 51.0 1.0

Chlorine binding site 10 out of 17 in the Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Anbu (Ancestral Beta-Subunit) From Yersinia Bercovieri within 5.0Å range: probe atom residue distance (Å) B Occ Q:Cl301 b:77.3 occ:1.00 NH2 Q:ARG64 2.4 0.6 1.0 CZ Q:ARG64 3.5 0.2 1.0 NH1 Q:ARG64 3.8 0.3 1.0 NE Q:ARG65 3.8 59.9 1.0 NE2 Q:GLN71 4.0 79.5 1.0 NH2 Q:ARG65 4.0 68.6 1.0 OE1 Q:GLN71 4.3 95.9 1.0 CZ Q:ARG65 4.4 71.4 1.0 CD Q:GLN71 4.5 93.2 1.0 NE Q:ARG64 4.7 94.7 1.0 CG Q:ARG65 4.8 59.6 1.0 CD Q:ARG65 4.9 68.4 1.0

A.Piasecka, H.Czapinska, M.T.Vielberg, R.H.Szczepanowski, R.Kiefersauer, S.Reed, M.Groll, M.Bochtler. The Y. Bercovieri Anbu Crystal Structure Sheds Light on the Evolution of Highly (Pseudo)Symmetric Multimers. J. Mol. Biol. V. 430 611 2018.
ISSN: ESSN 1089-8638
PubMed: 29258816
DOI: 10.1016/J.JMB.2017.11.016