Chlorine in PDB 7c5q: Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution

The structure of Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution, PDB code: 7c5q was solved by L.Zhang, M.R.Liu, L.Y.Bao, Y.C.Yao, I.K.Bostrom, Y.D.Wang, A.Q.Chen, J.X.Li, S.H.Gu, C.N.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.08 / 2.13
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.674, 89.674, 341.795, 90, 90, 90
R / Rfree (%)	13.8 / 19

The binding sites of Chlorine atom in the Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution (pdb code 7c5q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution, PDB code: 7c5q:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ O:Cl406 b:27.4 occ:1.00 H O:GLY228 2.6 22.5 1.0 HA O:LYS227 3.0 21.4 1.0 HB3 O:LYS227 3.0 25.2 1.0 HB2 O:LYS213 3.0 34.5 1.0 O O:HOH763 3.1 39.2 1.0 HG2 O:LYS227 3.1 31.1 1.0 O P:HOH510 3.2 24.6 1.0 O O:HOH559 3.3 17.8 1.0 O O:HOH721 3.3 20.8 1.0 N O:GLY228 3.4 18.8 1.0 CB O:LYS227 3.6 21.0 1.0 O O:GLY228 3.6 16.0 1.0 CA O:LYS227 3.6 17.8 1.0 CG O:LYS227 3.8 25.9 1.0 CB O:LYS213 3.9 28.8 1.0 HD3 O:LYS227 3.9 30.2 1.0 HD2 O:LYS213 4.0 40.0 1.0 C O:LYS227 4.0 14.2 1.0 HB3 O:LYS213 4.0 34.5 1.0 H O:LYS213 4.1 19.6 1.0 HB3 O:ALA212 4.1 22.7 1.0 O O:HOH561 4.4 17.4 1.0 CD O:LYS227 4.4 25.1 1.0 C O:GLY228 4.4 16.8 1.0 N O:LYS213 4.5 16.3 1.0 CA O:GLY228 4.5 25.1 1.0 HB2 O:LYS227 4.5 25.2 1.0 HA O:LYS213 4.5 30.6 1.0 O O:THR209 4.5 22.0 1.0 HG3 O:LYS227 4.6 31.1 1.0 CA O:LYS213 4.6 25.5 1.0 OE2 P:GLU297 4.6 21.9 1.0 HE2 O:LYS227 4.7 38.8 1.0 O O:HOH739 4.8 28.3 1.0 CD O:LYS213 4.8 33.4 1.0 O O:LEU226 4.9 20.1 1.0 O O:HOH755 4.9 37.4 1.0 N O:LYS227 4.9 22.7 1.0 CG O:LYS213 5.0 37.2 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ O:Cl407 b:20.7 occ:1.00 H O:LYS81 2.4 20.9 1.0 HG2 O:LYS81 3.0 21.5 1.0 H O:ALA80 3.0 18.3 1.0 HB3 O:LYS81 3.1 17.6 1.0 HB1 O:ALA108 3.1 18.7 1.0 O O:HOH567 3.2 18.1 1.0 HE1 O:TYR100 3.2 19.1 1.0 HB3 O:GLU79 3.2 22.0 1.0 N O:LYS81 3.3 17.4 1.0 HB3 O:ALA80 3.3 25.2 1.0 N O:ALA80 3.4 15.2 1.0 HB2 O:ALA108 3.4 18.7 1.0 CB O:ALA108 3.6 15.6 1.0 HB3 O:ALA108 3.7 18.7 1.0 CG O:LYS81 3.7 17.9 1.0 CB O:LYS81 3.7 14.6 1.0 HD3 O:LYS81 3.8 25.1 1.0 HA O:GLU79 3.8 28.3 1.0 C O:GLU79 3.9 18.0 1.0 CA O:ALA80 4.0 18.0 1.0 CB O:GLU79 4.1 18.4 1.0 CE1 O:TYR100 4.1 15.9 1.0 CB O:ALA80 4.1 21.0 1.0 CA O:LYS81 4.1 17.5 1.0 C O:ALA80 4.1 23.4 1.0 CA O:GLU79 4.2 23.6 1.0 CD O:LYS81 4.2 20.9 1.0 HB2 O:ALA80 4.5 25.2 1.0 HG2 O:GLU79 4.5 20.9 1.0 HE2 O:LYS81 4.5 40.2 1.0 HG3 O:LYS81 4.5 21.5 1.0 OH O:TYR100 4.5 17.7 1.0 HA O:LYS81 4.6 21.0 1.0 HB2 O:LYS81 4.6 17.6 1.0 O O:GLU79 4.7 15.5 1.0 HB2 O:GLU79 4.7 22.0 1.0 CZ O:TYR100 4.8 22.0 1.0 CG O:GLU79 4.8 17.4 1.0 HB1 O:ALA80 4.8 25.2 1.0 HD1 O:TYR100 4.9 20.1 1.0 CE O:LYS81 4.9 33.5 1.0 CD1 O:TYR100 5.0 16.8 1.0 HA O:ALA80 5.0 21.6 1.0 H O:ASN82 5.0 20.3 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl405 b:22.8 occ:1.00 H P:GLY228 2.5 20.7 1.0 HB2 P:LYS213 2.9 27.2 1.0 HG2 P:LYS227 3.0 28.4 1.0 O P:HOH713 3.1 26.8 1.0 HA P:LYS227 3.1 22.3 1.0 O O:HOH521 3.1 25.7 1.0 O P:HOH766 3.1 38.0 1.0 O P:HOH534 3.2 18.3 1.0 HB3 P:LYS227 3.2 22.0 1.0 N P:GLY228 3.3 17.3 1.0 O P:GLY228 3.5 22.3 1.0 CB P:LYS227 3.6 18.3 1.0 CA P:LYS227 3.7 18.6 1.0 CG P:LYS227 3.7 23.7 1.0 HD2 P:LYS213 3.8 39.2 1.0 CB P:LYS213 3.8 22.7 1.0 C P:LYS227 4.0 17.6 1.0 H P:LYS213 4.0 21.3 1.0 HD3 P:LYS227 4.1 25.8 1.0 HB3 P:LYS213 4.2 27.2 1.0 HB3 P:ALA212 4.3 21.9 1.0 C P:GLY228 4.4 17.4 1.0 O P:HOH589 4.4 16.0 1.0 CA P:GLY228 4.4 15.2 1.0 OE1 O:GLU297 4.4 23.0 1.0 CD P:LYS227 4.5 21.5 1.0 N P:LYS213 4.5 17.8 1.0 HG3 P:LYS227 4.5 28.4 1.0 HA P:LYS213 4.5 29.4 1.0 O P:THR209 4.6 23.0 1.0 CA P:LYS213 4.6 24.5 1.0 HE2 P:LYS227 4.6 29.5 1.0 HB2 P:LYS227 4.6 22.0 1.0 HG3 P:LYS213 4.6 32.5 1.0 CD P:LYS213 4.6 32.7 1.0 CG P:LYS213 4.7 27.1 1.0 O P:HOH735 4.7 36.3 1.0 O O:HOH769 4.8 26.0 1.0 O P:HOH768 4.8 43.3 1.0 HA3 P:GLY228 5.0 18.3 1.0 HA2 P:GLY210 5.0 33.7 1.0 N P:LYS227 5.0 16.2 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ Q:Cl406 b:26.4 occ:1.00 H Q:GLY228 2.6 22.2 1.0 HB2 Q:LYS213 3.0 31.8 1.0 HA Q:LYS227 3.0 18.1 1.0 O Q:HOH674 3.1 30.7 1.0 HB3 Q:LYS227 3.1 24.5 1.0 O R:HOH548 3.1 27.8 1.0 O Q:HOH588 3.2 20.2 1.0 HG2 Q:LYS227 3.3 30.9 1.0 N Q:GLY228 3.4 18.5 1.0 O Q:GLY228 3.6 15.7 1.0 CB Q:LYS227 3.6 20.4 1.0 CA Q:LYS227 3.7 15.1 1.0 CG Q:LYS227 3.8 25.7 1.0 HD3 Q:LYS227 3.9 29.9 1.0 HB3 Q:ALA212 4.0 27.9 1.0 CB Q:LYS213 4.0 26.5 1.0 HD2 Q:LYS213 4.0 44.3 1.0 C Q:LYS227 4.0 16.4 1.0 H Q:LYS213 4.1 24.2 1.0 O Q:HOH509 4.3 19.1 1.0 CD Q:LYS227 4.4 24.9 1.0 HB3 Q:LYS213 4.4 31.8 1.0 C Q:GLY228 4.4 17.8 1.0 N Q:LYS213 4.5 20.2 1.0 CA Q:GLY228 4.5 26.1 1.0 HA Q:LYS213 4.5 27.3 1.0 HB2 Q:LYS227 4.5 24.5 1.0 O Q:THR209 4.6 26.7 1.0 HG3 Q:LYS213 4.6 42.6 1.0 OE2 R:GLU297 4.6 27.3 1.0 CA Q:LYS213 4.6 22.7 1.0 HG3 Q:LYS227 4.7 30.9 1.0 CG Q:LYS213 4.7 35.5 1.0 O Q:HOH716 4.7 26.4 1.0 CD Q:LYS213 4.8 36.9 1.0 HE2 Q:LYS227 4.8 31.1 1.0 CB Q:ALA212 4.9 23.2 1.0 O Q:HOH746 5.0 29.3 1.0 O Q:LEU226 5.0 19.7 1.0 N Q:LYS227 5.0 15.0 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of H177A Mutant Glyceraldehyde-3-Phosphate DEHYDROGENASE1 From Escherichia Coli Complexed with Bpg at 2.13 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ R:Cl406 b:29.9 occ:1.00 H R:GLY228 2.6 25.1 1.0 O Q:HOH547 3.0 24.5 1.0 HA R:LYS227 3.1 20.9 1.0 HG2 R:LYS227 3.2 29.6 1.0 O R:HOH639 3.2 24.3 1.0 HB2 R:LYS213 3.2 39.9 1.0 HB3 R:LYS227 3.2 26.3 1.0 O R:HOH522 3.3 21.1 1.0 N R:GLY228 3.4 20.9 1.0 O R:GLY228 3.5 21.3 1.0 CB R:LYS227 3.7 21.9 1.0 CA R:LYS227 3.7 17.4 1.0 HD3 R:LYS227 3.7 29.1 1.0 CG R:LYS227 3.8 24.7 1.0 H R:LYS213 4.0 33.5 1.0 HD2 R:LYS213 4.1 55.8 1.0 C R:LYS227 4.1 21.1 1.0 CB R:LYS213 4.1 33.2 1.0 HB3 R:ALA212 4.1 34.5 1.0 CD R:LYS227 4.3 24.3 1.0 HG3 R:LYS213 4.4 48.3 1.0 C R:GLY228 4.4 23.1 1.0 OE2 Q:GLU297 4.4 23.3 1.0 O R:HOH586 4.4 20.0 1.0 CA R:GLY228 4.5 23.5 1.0 O R:THR209 4.5 29.2 1.0 N R:LYS213 4.5 27.9 1.0 HA R:LYS213 4.6 34.2 1.0 HB2 R:LYS227 4.6 26.3 1.0 HG3 R:LYS227 4.6 29.6 1.0 CG R:LYS213 4.7 40.2 1.0 O Q:HOH740 4.7 28.9 1.0 HB3 R:LYS213 4.7 39.9 1.0 CA R:LYS213 4.7 28.5 1.0 O R:HOH659 4.8 31.3 1.0 HE2 R:LYS227 4.8 30.2 1.0 CD R:LYS213 4.8 46.5 1.0 HD2 R:LYS227 5.0 29.1 1.0

L.Zhang, M.R.Liu, L.Y.Bao, Y.C.Yao, I.K.Bostrom, Y.D.Wang, A.Q.Chen, J.X.Li, S.H.Gu, C.N.Ji. Crystal Structure of TYPE1 Glyceraldehyde-3-Phosphate Dehydrogenase From Escherichia Coli Provides New Insight Into Bpg Generation and Catalytic Mechanism To Be Published.