Chlorine in PDB 6bal: 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate

All present enzymatic activity of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate:
1.1.1.37;

The structure of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate, PDB code: 6bal was solved by G.Minasov, Z.Wawrzak, T.Skarina, S.Grimshaw, K.J.F.Satchell, A.Savchenko, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.75 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	74.108, 78.079, 114.029, 71.09, 75.44, 68.06
R / Rfree (%)	17 / 21.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Chlorine atom in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate (pdb code 6bal). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 21 binding sites of Chlorine where determined in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate, PDB code: 6bal:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:29.6 occ:0.50 CL A:CL402 0.0 29.6 0.5 CL A:CL402 1.6 35.4 0.5 NE2 A:GLN23 3.1 25.1 1.0 CG A:GLN23 3.7 25.3 1.0 CD A:GLN23 3.9 25.1 1.0 CD1 B:LEU22 3.9 27.6 1.0 CD2 A:LEU19 4.1 24.2 1.0 CB A:LEU22 4.2 25.6 1.0 CD1 A:LEU22 4.3 25.9 1.0 CB B:LEU22 4.6 26.7 1.0 NE2 B:GLN23 4.7 30.3 1.0 CD2 B:LEU19 4.7 23.1 1.0 CG B:LEU22 4.8 26.7 1.0 CG A:LEU22 4.9 25.7 1.0

Chlorine binding site 2 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:35.4 occ:0.50 CL A:CL402 0.0 35.4 0.5 CL A:CL402 1.6 29.6 0.5 NE2 B:GLN23 3.1 30.3 1.0 CG B:GLN23 3.7 29.1 1.0 CD B:GLN23 3.9 30.7 1.0 CD1 A:LEU22 4.0 25.9 1.0 CD2 B:LEU19 4.1 23.1 1.0 CB B:LEU22 4.3 26.7 1.0 CD1 B:LEU22 4.4 27.6 1.0 CB A:LEU22 4.6 25.6 1.0 NE2 A:GLN23 4.7 25.1 1.0 CG A:LEU22 4.9 25.7 1.0 CD2 A:LEU19 4.9 24.2 1.0

Chlorine binding site 3 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:46.7 occ:1.00 O A:HOH631 3.0 39.4 1.0 NH1 A:ARG233 3.1 37.6 1.0 NE2 A:GLN229 3.2 27.4 1.0 NE A:ARG233 3.6 34.8 1.0 CG A:GLN229 3.7 24.8 1.0 CZ A:ARG233 3.8 36.6 1.0 CG B:PRO50 3.9 27.5 1.0 CD A:GLN229 4.0 26.3 1.0 CD B:PRO50 4.0 27.2 1.0 CG A:LEU152 4.1 25.2 1.0 CD2 A:LEU152 4.2 26.4 1.0 CD1 A:LEU152 4.3 24.8 1.0 CG2 B:ILE49 4.8 26.6 1.0 CD A:ARG233 4.8 33.6 1.0 CB A:ARG233 4.9 27.5 1.0 NH2 A:ARG233 5.0 37.1 1.0

Chlorine binding site 4 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:32.6 occ:1.00 O B:HOH609 3.1 38.1 1.0 OG B:SER178 3.2 35.4 1.0 N B:ASN122 3.3 24.2 1.0 CG B:ASN122 3.4 24.7 1.0 N B:VAL121 3.4 25.8 1.0 CB B:SER178 3.4 33.0 1.0 NH1 B:ARG87 3.5 97.7 1.0 CB B:PRO120 3.6 29.2 1.0 ND2 B:ASN122 3.6 25.1 1.0 C B:PRO120 3.6 27.4 1.0 CB B:ASN122 3.6 24.6 1.0 OD1 B:ASN122 3.7 24.3 1.0 CA B:PRO120 3.7 28.5 1.0 N B:SER178 3.9 30.3 1.0 C B:HIS177 4.0 29.6 1.0 CB B:HIS177 4.0 30.2 1.0 CA B:ASN122 4.1 24.9 1.0 CA B:VAL121 4.1 24.8 1.0 C B:VAL121 4.2 24.4 1.0 CA B:SER178 4.3 31.1 1.0 O B:HIS177 4.3 31.6 1.0 OD1 B:ASN119 4.3 34.3 1.0 CZ B:ARG87 4.3 0.7 1.0 O B:PRO120 4.3 27.8 1.0 CA B:HIS177 4.3 29.2 1.0 CB B:VAL121 4.4 24.9 1.0 N B:HIS177 4.5 28.5 1.0 CG B:HIS177 4.7 32.1 1.0 CD2 B:HIS177 4.8 33.8 1.0 NH2 B:ARG87 4.9 98.9 1.0 NE B:ARG87 5.0 0.0 1.0

Chlorine binding site 5 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:39.9 occ:1.00 NE2 B:GLN229 3.1 30.9 1.0 NH1 B:ARG233 3.4 35.5 1.0 CD B:ARG233 3.5 31.8 1.0 CG B:GLN229 3.8 29.1 1.0 CG B:LEU152 3.8 28.5 1.0 CD B:GLN229 3.9 31.3 1.0 CD1 B:LEU152 4.0 28.8 1.0 CD A:PRO50 4.0 33.2 1.0 CG A:PRO50 4.0 33.9 1.0 CD2 B:LEU152 4.1 29.4 1.0 CZ B:ARG233 4.3 34.8 1.0 NE B:ARG233 4.3 34.1 1.0 CB B:ARG233 4.6 29.0 1.0 CG B:ARG233 4.6 30.5 1.0 CG2 A:ILE49 4.7 29.4 1.0 O B:GLN229 4.9 26.3 1.0

Chlorine binding site 6 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:32.8 occ:0.80 O C:HOH632 3.1 32.7 1.0 OG C:SER178 3.2 41.0 1.0 N C:ASN122 3.3 21.6 1.0 CG C:ASN122 3.4 22.0 1.0 N C:VAL121 3.4 22.2 1.0 CB C:SER178 3.5 38.4 1.0 OD1 C:ASN122 3.6 22.3 1.0 CB C:ASN122 3.6 21.6 1.0 ND2 C:ASN122 3.6 23.4 1.0 C C:PRO120 3.7 22.5 1.0 CB C:PRO120 3.8 24.8 1.0 CA C:PRO120 3.8 23.6 1.0 C C:HIS177 3.9 33.2 1.0 N C:SER178 4.0 33.8 1.0 CB C:HIS177 4.0 31.7 1.0 CA C:ASN122 4.1 21.9 1.0 CA C:VAL121 4.1 22.2 1.0 O C:HIS177 4.2 36.1 1.0 C C:VAL121 4.2 22.2 1.0 OD1 C:ASN119 4.3 29.4 1.0 CB C:VAL121 4.3 23.5 1.0 CA C:HIS177 4.3 30.6 1.0 CA C:SER178 4.4 35.5 1.0 O C:HOH666 4.4 42.2 1.0 O C:PRO120 4.4 22.3 1.0 N C:HIS177 4.5 29.2 1.0 CG C:ARG87 4.7 78.6 1.0 CG C:HIS177 4.8 34.4 1.0 CD2 C:HIS177 4.8 37.3 1.0 OD2 C:ASP301 4.9 30.7 1.0

Chlorine binding site 7 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:31.9 occ:0.50 CL C:CL402 0.0 31.9 0.5 CL C:CL402 1.6 30.7 0.5 NE2 C:GLN23 3.1 25.6 1.0 CG C:GLN23 3.7 26.3 1.0 CD C:GLN23 3.9 26.4 1.0 CB C:LEU22 4.0 22.1 1.0 CD1 D:LEU22 4.0 22.2 1.0 CD2 C:LEU19 4.2 21.8 1.0 CD1 C:LEU22 4.3 23.4 1.0 NE2 D:GLN23 4.6 25.9 1.0 CB D:LEU22 4.6 22.2 1.0 CG C:LEU22 4.8 22.0 1.0 CD2 D:LEU19 4.8 21.2 1.0 CG D:LEU22 4.9 21.6 1.0

Chlorine binding site 8 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:30.7 occ:0.50 CL C:CL402 0.0 30.7 0.5 CL C:CL402 1.6 31.9 0.5 NE2 D:GLN23 3.1 25.9 1.0 CG D:GLN23 3.7 25.6 1.0 CD D:GLN23 3.9 26.0 1.0 CD1 C:LEU22 4.1 23.4 1.0 CD2 D:LEU19 4.1 21.2 1.0 CB D:LEU22 4.2 22.2 1.0 CD1 D:LEU22 4.2 22.2 1.0 CB C:LEU22 4.5 22.1 1.0 NE2 C:GLN23 4.6 25.6 1.0 CG C:LEU22 4.8 22.0 1.0 CG D:LEU22 4.8 21.6 1.0 CD2 C:LEU19 4.8 21.8 1.0

Chlorine binding site 9 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:44.5 occ:1.00 O D:HOH674 2.9 36.2 1.0 O C:HOH505 3.1 38.1 1.0 NE2 C:GLN229 3.2 26.1 1.0 NH1 C:ARG233 3.4 29.1 1.0 CD D:PRO50 3.8 26.2 1.0 CD C:ARG233 3.8 27.1 1.0 CG C:GLN229 3.8 25.2 1.0 CG C:LEU152 3.9 23.7 1.0 CG D:PRO50 3.9 27.5 1.0 CD2 C:LEU152 4.0 24.5 1.0 CD C:GLN229 4.0 25.8 1.0 O D:HOH567 4.1 43.5 1.0 CD1 C:LEU152 4.2 23.9 1.0 CZ C:ARG233 4.4 29.4 1.0 NE C:ARG233 4.5 28.6 1.0 CG2 D:ILE49 4.7 27.4 1.0 CB C:ARG233 4.9 25.6 1.0 N D:PRO50 4.9 26.2 1.0 CG C:ARG233 4.9 26.7 1.0

Chlorine binding site 10 out of 21 in the 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:29.9 occ:0.60 O D:HOH645 2.9 28.7 1.0 N D:VAL121 3.2 27.1 1.0 N D:ASN122 3.2 24.1 1.0 O D:HIS177 3.2 45.0 1.0 C D:PRO120 3.4 27.6 1.0 CG D:ASN122 3.4 23.4 1.0 CB D:PRO120 3.5 29.9 1.0 CA D:PRO120 3.5 29.2 1.0 ND2 D:ASN122 3.6 22.9 1.0 CB D:ASN122 3.7 22.8 1.0 OD1 D:ASN122 3.8 23.8 1.0 C D:HIS177 3.9 37.2 1.0 CA D:VAL121 4.0 26.8 1.0 CB D:SER178 4.0 40.1 1.0 CA D:ASN122 4.0 23.8 1.0 C D:VAL121 4.0 25.1 1.0 O D:PRO120 4.1 28.2 1.0 OD1 D:ASN119 4.1 36.1 1.0 CB D:VAL121 4.3 27.5 1.0 CD D:ARG87 4.3 53.9 1.0 CB D:ARG87 4.4 57.0 1.0 N D:SER178 4.5 35.7 1.0 O D:HOH647 4.6 38.0 1.0 CA D:SER178 4.6 38.0 1.0 CA D:HIS177 4.6 34.4 1.0 CB D:HIS177 4.6 35.0 1.0 OG D:SER178 4.8 41.3 1.0 N D:HIS177 4.8 30.6 1.0 OD2 D:ASP301 4.8 33.6 1.0 N D:THR123 4.8 24.1 1.0 CG D:PRO120 4.9 30.4 1.0

G.Minasov, Z.Wawrzak, T.Skarina, S.Grimshaw, K.J.F.Satchell, A.Savchenko, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase From Haemophilus Influenzae in Complex with L-Malate To Be Published.