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Chlorine in PDB 9qcg: Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature

Enzymatic activity of Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature

All present enzymatic activity of Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature:
1.1.1.299;

Protein crystallography data

The structure of Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature, PDB code: 9qcg was solved by S.Coquille, D.Madern, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 17.90 / 2.39
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 75.305, 75.305, 270.065, 90, 90, 90
R / Rfree (%) 26.3 / 30.9

Other elements in 9qcg:

The structure of Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature also contains other interesting chemical elements:

Potassium (K) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature (pdb code 9qcg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature, PDB code: 9qcg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 9qcg

Go back to Chlorine Binding Sites List in 9qcg
Chlorine binding site 1 out of 3 in the Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature


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 Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:40.5
occ:1.00
HE B:ARG20 2.4 50.3 1.0
HE A:ARG20 2.5 33.0 1.0
HH21 A:ARG20 2.7 42.1 1.0
HH21 B:ARG20 2.8 43.0 1.0
HG23 A:THR16 3.0 45.5 1.0
HE1 B:PHE230 3.1 35.1 1.0
HG23 B:THR16 3.1 47.2 1.0
HE1 A:PHE230 3.2 40.5 1.0
NE B:ARG20 3.2 41.9 1.0
NE A:ARG20 3.3 27.4 1.0
HD1 A:PHE230 3.4 57.0 1.0
HD1 B:PHE230 3.4 57.5 1.0
NH2 A:ARG20 3.5 35.0 1.0
NH2 B:ARG20 3.5 35.7 1.0
HG3 B:ARG20 3.6 43.6 1.0
CE1 B:PHE230 3.8 29.2 1.0
HG3 A:ARG20 3.8 66.7 1.0
HG22 B:THR16 3.8 47.2 1.0
CG2 A:THR16 3.8 37.9 1.0
CE1 A:PHE230 3.8 33.7 1.0
CZ B:ARG20 3.9 38.1 1.0
HG22 A:THR16 3.9 45.5 1.0
CZ A:ARG20 3.9 35.0 1.0
CG2 B:THR16 3.9 39.3 1.0
CD1 A:PHE230 3.9 47.4 1.0
CD1 B:PHE230 4.0 47.8 1.0
HG2 B:ARG20 4.0 43.6 1.0
HG21 A:THR16 4.1 45.5 1.0
HG2 A:ARG20 4.1 66.7 1.0
CG B:ARG20 4.2 36.2 1.0
HG21 B:THR16 4.2 47.2 1.0
HH22 A:ARG20 4.2 42.1 1.0
CD B:ARG20 4.3 27.9 1.0
HH22 B:ARG20 4.3 43.0 1.0
CG A:ARG20 4.3 55.5 1.0
CD A:ARG20 4.4 39.5 1.0
HB3 B:ALA19 4.5 46.8 1.0
HB3 A:ALA19 4.5 39.0 1.0
HA B:THR16 4.6 40.2 1.0
HA A:THR16 4.6 48.4 1.0
HD2 B:ARG20 4.7 33.5 1.0
HD2 A:ARG20 4.8 47.5 1.0
O B:HOH501 4.9 56.7 1.0
HB1 B:ALA19 5.0 46.8 1.0
HD3 B:ARG20 5.0 33.5 1.0

Chlorine binding site 2 out of 3 in 9qcg

Go back to Chlorine Binding Sites List in 9qcg
Chlorine binding site 2 out of 3 in the Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature


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 Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:63.0
occ:0.80
H A:THR252 2.6 58.0 1.0
HA A:LEU251 3.0 40.2 1.0
HB2 A:SER152 3.1 61.0 1.0
O A:HOH523 3.2 54.9 1.0
OG1 A:THR252 3.3 49.3 1.0
ND1 A:HIS149 3.3 48.0 1.0
N A:THR252 3.3 48.2 1.0
HG1 A:THR252 3.4 59.2 1.0
HA A:HIS149 3.4 52.1 1.0
HD22 A:LEU251 3.7 43.5 1.0
HG A:SER152 3.7 66.7 1.0
HB3 A:LEU251 3.7 37.9 1.0
HB A:THR252 3.8 60.0 1.0
CB A:SER152 3.8 50.8 1.0
HB3 A:SER152 3.8 61.0 1.0
CA A:LEU251 3.8 33.5 1.0
HE1 A:HIS149 3.9 60.0 1.0
CB A:THR252 3.9 49.9 1.0
HH12 A:ARG173 4.0 68.9 1.0
CE1 A:HIS149 4.0 50.0 1.0
C A:LEU251 4.1 45.2 1.0
OG A:SER152 4.2 55.5 1.0
O A:HIS149 4.2 46.6 1.0
CA A:THR252 4.2 45.6 1.0
CB A:LEU251 4.3 31.5 1.0
CA A:HIS149 4.3 43.4 1.0
HD23 A:LEU251 4.4 43.5 1.0
CG A:HIS149 4.4 44.8 1.0
CD2 A:LEU251 4.4 36.1 1.0
NH1 A:ARG173 4.5 57.3 1.0
O A:VAL250 4.6 44.2 1.0
HH11 A:ARG173 4.6 68.9 1.0
HB2 A:HIS149 4.7 42.0 1.0
C A:HIS149 4.7 36.4 1.0
CB A:HIS149 4.8 35.0 1.0
SD A:MET153 4.8 57.2 1.0
HA A:ARG173 4.8 62.3 1.0
HB3 A:ARG173 4.8 65.6 1.0
O A:THR172 4.9 47.5 1.0
O A:THR252 4.9 45.5 1.0
HA A:THR252 5.0 54.8 1.0
HB2 A:ARG173 5.0 65.6 1.0
CG A:LEU251 5.0 32.5 1.0

Chlorine binding site 3 out of 3 in 9qcg

Go back to Chlorine Binding Sites List in 9qcg
Chlorine binding site 3 out of 3 in the Crystal Structure of Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature


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 Methanopyrus Kandleri Malate Dehydrogenase Mutant 4 at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:57.3
occ:1.00
H B:THR252 2.6 54.4 1.0
HG1 B:THR252 2.7 76.7 1.0
HB2 B:SER152 3.0 51.9 1.0
OG1 B:THR252 3.0 63.9 1.0
HA B:LEU251 3.2 48.0 1.0
N B:THR252 3.3 45.3 1.0
ND1 B:HIS149 3.4 41.2 1.0
HA B:HIS149 3.5 44.5 1.0
HB B:THR252 3.6 62.1 1.0
HG B:SER152 3.6 49.8 1.0
CB B:SER152 3.7 43.2 1.0
HB3 B:SER152 3.7 51.9 1.0
CB B:THR252 3.7 51.7 1.0
HH11 B:ARG173 3.9 69.8 1.0
HB3 B:LEU251 3.9 32.7 1.0
HE1 B:HIS149 3.9 53.8 1.0
HD22 B:LEU251 3.9 41.3 1.0
CA B:LEU251 3.9 40.0 1.0
HH12 B:ARG173 4.0 69.8 1.0
OG B:SER152 4.0 41.4 1.0
CE1 B:HIS149 4.0 44.8 1.0
HG3 B:ARG173 4.1 63.9 1.0
C B:LEU251 4.1 45.6 1.0
CA B:THR252 4.1 42.1 1.0
NH1 B:ARG173 4.2 58.1 1.0
O B:HIS149 4.2 37.7 1.0
HG2 B:MET153 4.3 50.5 1.0
CA B:HIS149 4.4 37.0 1.0
CB B:LEU251 4.4 27.1 1.0
CG B:HIS149 4.5 41.6 1.0
HD23 B:LEU251 4.7 41.3 1.0
CD2 B:LEU251 4.7 34.3 1.0
O B:VAL250 4.7 43.3 1.0
C B:HIS149 4.8 29.1 1.0
O B:THR252 4.8 52.7 1.0
HB2 B:HIS149 4.8 44.1 1.0
CB B:HIS149 4.8 36.7 1.0
HA B:THR252 4.9 50.6 1.0
HA B:ARG173 4.9 64.8 1.0
C B:THR252 5.0 40.1 1.0
O B:THR172 5.0 43.6 1.0

Reference:

S.Coquille, C.S.Pereira, J.Roche, G.Santoni, S.Engilberge, C.Brochier-Armanet, E.Girard, F.Sterpone, D.Madern. Allostery and Evolution: A Molecular Journey Through the Structural and Dynamical Landscape of An Enzyme Super Family. Mol.Biol.Evol. V. 42 2025.
ISSN: ESSN 1537-1719
PubMed: 39834309
DOI: 10.1093/MOLBEV/MSAE265
Page generated: Sun Jul 13 17:20:05 2025

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