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Chlorine in PDB 2qc8: Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate

Enzymatic activity of Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate

All present enzymatic activity of Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate:
6.3.1.2;

Protein crystallography data

The structure of Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate, PDB code: 2qc8 was solved by T.Karlberg, L.Lehtio, C.H.Arrowsmith, H.Berglund, R.D.Busam, R.Collins, L.G.Dahlgren, A.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, M.Hogbom, I.Johansson, A.Kallas, T.Kotenyova, M.Moche, P.Nordlund, T.Nyman, C.Persson, J.Sagemark, M.Sundstrom, A.G.Thorsell, S.Van Denberg, J.Weigelt, L.Holmberg-Schiavone, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.94 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 181.210, 126.080, 188.170, 90.00, 92.14, 90.00
R / Rfree (%) 16.6 / 21.7

Other elements in 2qc8:

The structure of Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate also contains other interesting chemical elements:

Manganese (Mn) 30 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate (pdb code 2qc8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate, PDB code: 2qc8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 2qc8

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Chlorine binding site 1 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


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 Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:33.3
occ:1.00
OG1 E:THR44 3.1 36.7 1.0
O A:HOH712 3.2 28.4 1.0
OG1 A:THR193 3.3 37.8 1.0
CE E:MET29 3.6 35.3 1.0
N E:THR44 3.6 36.3 1.0
O A:THR193 3.7 37.7 1.0
CB E:THR44 3.8 36.7 1.0
CA E:LYS43 3.9 35.8 1.0
NH2 E:ARG90 4.1 38.2 1.0
C E:LYS43 4.1 36.3 1.0
C A:THR193 4.1 36.6 1.0
CB A:THR193 4.3 37.1 1.0
CA A:ASN194 4.3 36.0 1.0
CA E:THR44 4.4 36.7 1.0
NH1 A:ARG173 4.5 34.7 1.0
N A:ASN194 4.5 36.3 1.0
N E:LYS43 4.8 35.6 1.0
CA A:THR193 4.9 36.4 1.0
CB E:LYS43 4.9 35.9 1.0
O E:CYS42 4.9 34.6 1.0

Chlorine binding site 2 out of 10 in 2qc8

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Chlorine binding site 2 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


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 Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl701

b:31.3
occ:1.00
OG1 B:THR44 3.0 38.5 1.0
OG1 C:THR193 3.2 39.2 1.0
O B:HOH713 3.3 30.1 1.0
N B:THR44 3.4 37.2 1.0
O C:THR193 3.4 38.0 1.0
CB B:THR44 3.6 38.2 1.0
CE B:MET29 3.7 32.0 1.0
CA B:LYS43 3.8 36.6 1.0
C C:THR193 3.9 37.1 1.0
C B:LYS43 3.9 37.0 1.0
CA B:THR44 4.2 37.8 1.0
CB C:THR193 4.2 37.5 1.0
NH2 B:ARG90 4.2 36.6 1.0
CA C:ASN194 4.2 36.8 1.0
N C:ASN194 4.3 37.3 1.0
NH1 C:ARG173 4.7 35.4 1.0
CA C:THR193 4.7 37.0 1.0
N B:LYS43 4.7 36.6 1.0
CB B:LYS43 4.7 36.3 1.0
O B:CYS42 4.9 37.1 1.0
O B:LYS43 5.0 36.0 1.0
CG2 B:THR44 5.0 36.8 1.0

Chlorine binding site 3 out of 10 in 2qc8

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Chlorine binding site 3 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


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 Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl705

b:32.2
occ:1.00
O A:HOH728 3.1 35.5 1.0
OG1 A:THR44 3.1 38.0 1.0
OG1 B:THR193 3.2 37.5 1.0
O B:THR193 3.4 37.1 1.0
N A:THR44 3.6 37.1 1.0
CE A:MET29 3.7 30.2 1.0
CB A:THR44 3.8 37.6 1.0
C B:THR193 3.8 36.4 1.0
CA A:LYS43 3.9 36.4 1.0
NH2 A:ARG90 4.1 36.3 1.0
CA B:ASN194 4.1 36.3 1.0
C A:LYS43 4.1 36.7 1.0
N B:ASN194 4.2 36.1 1.0
CB B:THR193 4.2 37.1 1.0
CA A:THR44 4.4 37.4 1.0
CA B:THR193 4.6 36.4 1.0
NH1 B:ARG173 4.6 34.8 1.0
CB A:LYS43 4.7 36.4 1.0
O A:CYS42 4.8 35.1 1.0
N A:LYS43 4.9 36.2 1.0
C B:ASN194 4.9 36.0 1.0
N B:ALA195 4.9 35.7 1.0

Chlorine binding site 4 out of 10 in 2qc8

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Chlorine binding site 4 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


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 Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl702

b:29.9
occ:1.00
OG1 C:THR44 3.0 37.4 1.0
O D:HOH731 3.1 27.2 1.0
OG1 D:THR193 3.2 37.5 1.0
N C:THR44 3.5 36.4 1.0
O D:THR193 3.6 37.9 1.0
CE C:MET29 3.6 30.1 1.0
CB C:THR44 3.6 37.2 1.0
NH2 C:ARG90 3.9 36.1 1.0
CA C:LYS43 3.9 36.2 1.0
C C:LYS43 4.0 36.5 1.0
C D:THR193 4.1 37.6 1.0
CA C:THR44 4.2 36.9 1.0
CB D:THR193 4.3 37.5 1.0
CA D:ASN194 4.4 36.2 1.0
N D:ASN194 4.5 36.8 1.0
NH1 D:ARG173 4.6 34.5 1.0
N C:LYS43 4.8 35.9 1.0
CA D:THR193 4.8 37.1 1.0
CB C:LYS43 4.9 35.4 1.0
O C:CYS42 5.0 36.4 1.0
CG2 C:THR44 5.0 35.9 1.0
OE2 D:GLU177 5.0 38.9 1.0
O C:LYS43 5.0 35.4 1.0

Chlorine binding site 5 out of 10 in 2qc8

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Chlorine binding site 5 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


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 Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl704

b:31.8
occ:1.00
OG1 D:THR44 3.0 36.5 1.0
OG1 E:THR193 3.1 39.3 1.0
O D:HOH712 3.3 29.8 1.0
O E:THR193 3.6 37.4 1.0
N D:THR44 3.6 36.0 1.0
CB D:THR44 3.7 36.8 1.0
CE D:MET29 3.7 27.9 1.0
CA D:LYS43 3.8 35.7 1.0
C E:THR193 4.0 37.1 1.0
C D:LYS43 4.1 35.8 1.0
NH2 D:ARG90 4.1 35.0 1.0
CB E:THR193 4.2 37.1 1.0
CA E:ASN194 4.3 36.8 1.0
CA D:THR44 4.3 36.9 1.0
N E:ASN194 4.4 37.3 1.0
NH1 E:ARG173 4.5 35.4 1.0
CA E:THR193 4.7 36.8 1.0
CB D:LYS43 4.7 35.8 1.0
N D:LYS43 4.7 35.7 1.0
O D:CYS42 4.9 34.6 1.0

Chlorine binding site 6 out of 10 in 2qc8

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Chlorine binding site 6 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl706

b:45.2
occ:1.00
OG1 J:THR44 2.9 38.3 1.0
OG1 F:THR193 3.2 38.3 1.0
O F:THR193 3.3 37.1 1.0
N J:THR44 3.5 36.4 1.0
CA J:LYS43 3.7 36.2 1.0
CE J:MET29 3.8 32.8 1.0
CB J:THR44 3.8 36.8 1.0
C F:THR193 3.8 36.9 1.0
C J:LYS43 3.9 36.2 1.0
NH2 J:ARG90 4.1 37.3 1.0
CB F:THR193 4.1 36.9 1.0
CA F:ASN194 4.2 36.5 1.0
CA J:THR44 4.3 37.2 1.0
N F:ASN194 4.3 36.9 1.0
CB J:LYS43 4.6 35.9 1.0
CA F:THR193 4.6 36.8 1.0
N J:LYS43 4.6 36.1 1.0
NH1 F:ARG173 4.7 33.7 1.0
O J:CYS42 4.9 36.0 1.0
O J:LYS43 4.9 35.9 1.0

Chlorine binding site 7 out of 10 in 2qc8

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Chlorine binding site 7 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl707

b:44.5
occ:1.00
OG1 F:THR44 2.8 37.4 1.0
OG1 G:THR193 3.1 37.7 1.0
O G:THR193 3.4 36.7 1.0
N F:THR44 3.5 36.5 1.0
CB F:THR44 3.7 37.1 1.0
CA F:LYS43 3.7 36.1 1.0
CE F:MET29 3.8 32.7 1.0
C G:THR193 3.8 36.4 1.0
C F:LYS43 4.0 36.3 1.0
NH2 F:ARG90 4.2 36.8 1.0
CB G:THR193 4.2 36.2 1.0
CA G:ASN194 4.2 36.2 1.0
CA F:THR44 4.2 37.1 1.0
N G:ASN194 4.3 36.6 1.0
NH1 G:ARG173 4.5 35.2 1.0
CB F:LYS43 4.6 36.0 1.0
CA G:THR193 4.6 36.4 1.0
N F:LYS43 4.7 36.0 1.0
O F:CYS42 4.7 36.0 1.0
O F:LYS43 5.0 35.2 1.0
C F:CYS42 5.0 36.3 1.0

Chlorine binding site 8 out of 10 in 2qc8

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Chlorine binding site 8 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl708

b:45.9
occ:1.00
OG1 G:THR44 3.2 36.8 1.0
N G:THR44 3.3 36.5 1.0
OG1 H:THR193 3.3 37.7 1.0
O H:THR193 3.3 37.7 1.0
CA G:LYS43 3.5 36.4 1.0
CE G:MET29 3.6 29.7 1.0
C G:LYS43 3.8 36.5 1.0
C H:THR193 3.8 37.4 1.0
CB G:THR44 3.9 36.6 1.0
CA G:THR44 4.2 37.0 1.0
CA H:ASN194 4.2 36.5 1.0
CB H:THR193 4.2 37.6 1.0
N H:ASN194 4.3 37.2 1.0
CB G:LYS43 4.4 36.1 1.0
NH2 G:ARG90 4.5 36.6 1.0
N G:LYS43 4.5 36.4 1.0
O G:CYS42 4.5 36.2 1.0
NH1 H:ARG173 4.6 35.4 1.0
CA H:THR193 4.7 37.1 1.0
O G:LYS43 4.8 35.6 1.0
C G:CYS42 4.8 36.2 1.0
N H:ALA195 5.0 35.9 1.0
C H:ASN194 5.0 36.1 1.0

Chlorine binding site 9 out of 10 in 2qc8

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Chlorine binding site 9 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl709

b:41.0
occ:1.00
OG1 H:THR44 2.9 37.0 1.0
O I:THR193 3.2 36.7 1.0
OG1 I:THR193 3.2 35.2 1.0
N H:THR44 3.5 36.5 1.0
CB H:THR44 3.6 37.0 1.0
CE H:MET29 3.7 34.1 1.0
CA H:LYS43 3.7 36.4 1.0
C I:THR193 3.7 36.3 1.0
C H:LYS43 4.0 36.3 1.0
NH2 H:ARG90 4.0 37.3 1.0
CA I:ASN194 4.2 36.0 1.0
CB I:THR193 4.2 35.4 1.0
CA H:THR44 4.2 37.1 1.0
N I:ASN194 4.3 36.1 1.0
CA I:THR193 4.5 36.0 1.0
CB H:LYS43 4.6 36.3 1.0
N H:LYS43 4.6 36.5 1.0
NH1 I:ARG173 4.7 36.0 1.0
O H:CYS42 4.9 36.6 1.0
N I:THR193 5.0 35.9 1.0

Chlorine binding site 10 out of 10 in 2qc8

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Chlorine binding site 10 out of 10 in the Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Human Glutamine Synthetase in Complex with Adp and Methionine Sulfoximine Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl710

b:46.0
occ:1.00
OG1 I:THR44 2.9 38.1 1.0
OG1 J:THR193 3.2 36.7 1.0
O J:THR193 3.2 35.6 1.0
N I:THR44 3.6 36.2 1.0
CB I:THR44 3.7 37.1 1.0
C J:THR193 3.8 36.5 1.0
CE I:MET29 3.8 32.2 1.0
CA I:LYS43 3.8 36.0 1.0
C I:LYS43 4.0 35.9 1.0
NH2 I:ARG90 4.1 36.7 1.0
CB J:THR193 4.1 36.4 1.0
CA J:ASN194 4.2 36.7 1.0
N J:ASN194 4.2 36.9 1.0
CA I:THR44 4.3 37.0 1.0
NH1 J:ARG173 4.5 36.2 1.0
CA J:THR193 4.6 36.3 1.0
CB I:LYS43 4.7 35.6 1.0
N I:LYS43 4.8 36.4 1.0
O I:CYS42 4.8 36.2 1.0
O I:LYS43 5.0 34.7 1.0

Reference:

W.W.Krajewski, R.Collins, L.Holmberg-Schiavone, T.A.Jones, T.Karlberg, S.L.Mowbray. Crystal Structures of Mammalian Glutamine Synthetases Illustrate Substrate-Induced Conformational Changes and Provide Opportunities For Drug and Herbicide Design. J.Mol.Biol. V. 375 217 2008.
ISSN: ISSN 0022-2836
PubMed: 18005987
DOI: 10.1016/J.JMB.2007.10.029
Page generated: Sat Dec 12 09:16:46 2020

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