Atomistry » Chlorine » PDB 5o5r-5oeg » 5o9a
Atomistry »
  Chlorine »
    PDB 5o5r-5oeg »
      5o9a »

Chlorine in PDB 5o9a: Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution

Protein crystallography data

The structure of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution, PDB code: 5o9a was solved by S.Laulumaa, K.Rovinskaja, K.A.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.20 / 1.78
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.308, 98.408, 121.787, 90.00, 90.53, 90.00
R / Rfree (%) 15.3 / 17.9

Other elements in 5o9a:

The structure of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution (pdb code 5o9a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution, PDB code: 5o9a:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 1 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A 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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:14.9
occ:1.00
 CL1 A:7M6305 0.0 14.9 1.0
C5 A:7M6305 1.7 11.9 1.0
C4 A:7M6305 2.7 12.2 1.0
C6 A:7M6305 2.7 12.7 1.0
OG B:SER108 3.1 12.5 0.3
C6 B:7M6304 3.4 12.3 1.0
CB B:PRO105 3.4 9.1 1.0
CG B:PRO105 3.5 9.8 1.0
O B:LYS218 3.6 11.8 1.0
CA B:SER108 3.6 11.5 0.7
CA B:SER108 3.7 11.6 0.3
CA B:GLY219 3.7 11.7 1.0
CB B:SER108 3.7 12.9 0.7
CB B:SER108 3.8 12.8 0.3
C5 B:7M6304 3.8 11.7 1.0
O B:MET107 3.8 9.2 1.0
C7 B:7M6304 3.8 11.9 1.0
C1 A:7M6305 4.0 13.1 1.0
C7 A:7M6305 4.0 12.2 1.0
C B:LYS218 4.0 14.3 1.0
N B:SER108 4.1 10.8 1.0
N B:GLY219 4.1 13.0 1.0
C B:MET107 4.1 9.6 1.0
CL1 B:7M6304 4.3 14.2 1.0
F1 B:7M6304 4.3 23.1 1.0
O A:HOH424 4.4 11.4 0.5
C4 B:7M6304 4.5 10.6 1.0
O B:HOH498 4.6 13.5 1.0
C2 B:7M6304 4.6 12.7 1.0
C2 A:7M6305 4.6 13.7 1.0
O A:HOH424 4.7 11.3 0.5
C1 B:7M6304 4.8 11.4 1.0
CA B:PRO105 4.9 9.5 1.0
C B:GLY219 4.9 10.3 1.0
C B:SER108 5.0 12.8 1.0
OG B:SER108 5.0 13.2 0.7
CD B:PRO105 5.0 10.3 1.0

Chlorine binding site 2 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 2 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A 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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:43.3
occ:1.00
 N A:THR5 3.3 17.9 1.0
OG1 A:THR5 3.4 23.1 1.0
CG A:LYS4 3.7 39.2 1.0
CB A:THR5 3.8 19.8 1.0
CA A:LYS4 4.0 25.4 1.0
C A:LYS4 4.1 20.3 1.0
CA A:THR5 4.2 17.9 1.0
O A:HOH405 4.3 46.3 1.0
O A:HOH483 4.4 22.6 1.0
CB A:LYS4 4.4 32.3 1.0
CD A:LYS4 4.8 45.1 1.0
O A:ASN3 4.9 29.8 1.0

Chlorine binding site 3 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 3 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A 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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:64.1
occ:1.00
 O A:HOH463 3.5 37.5 1.0
CD1 A:LEU26 4.0 20.1 1.0
CD A:LYS20 4.2 31.2 1.0
CD2 A:LEU26 4.4 24.0 1.0
ND2 A:ASN22 4.6 45.2 1.0
NZ A:LYS20 4.6 36.6 1.0
O A:LYS21 4.7 28.2 1.0
CG A:LEU26 4.8 21.6 1.0
CB A:ASN22 4.9 33.5 1.0

Chlorine binding site 4 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 4 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A 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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:53.1
occ:1.00
 N A:ALA124 2.9 19.4 1.0
O A:HOH643 3.0 37.8 1.0
CD2 A:LEU215 3.4 24.0 1.0
CA A:SER123 3.5 20.7 1.0
C A:SER123 3.7 18.7 1.0
O A:GLY213 3.7 20.7 1.0
O A:HOH598 3.8 19.3 1.0
CB A:ALA124 3.8 16.9 1.0
CB A:SER123 3.8 21.4 1.0
CA A:ALA124 4.0 16.6 1.0
CD1 A:ILE113 4.1 12.2 1.0
N A:GLY213 4.3 23.6 1.0
CA A:GLY212 4.4 22.7 1.0
C A:GLY213 4.7 19.8 1.0
C A:GLY212 4.7 22.1 1.0
CG A:LEU215 4.7 19.3 1.0
O A:GLU122 4.8 23.9 1.0
N A:SER123 4.8 22.2 1.0
O A:SER123 4.9 18.2 1.0

Chlorine binding site 5 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 5 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A 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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:14.2
occ:1.00
 CL1 B:7M6304 0.0 14.2 1.0
C5 B:7M6304 1.7 11.7 1.0
C4 B:7M6304 2.7 10.6 1.0
C6 B:7M6304 2.7 12.3 1.0
OG A:SER108 3.1 13.2 0.3
C6 A:7M6305 3.4 12.7 1.0
O A:LYS218 3.4 10.4 1.0
CB A:PRO105 3.5 10.3 1.0
CB A:SER108 3.6 12.9 0.7
CG A:PRO105 3.6 10.7 1.0
CA A:SER108 3.6 12.3 0.7
CA A:SER108 3.6 12.2 0.3
CB A:SER108 3.6 12.8 0.3
CA A:GLY219 3.7 12.6 1.0
C5 A:7M6305 3.8 11.9 1.0
O A:MET107 3.9 10.7 1.0
C7 A:7M6305 3.9 12.2 1.0
C A:LYS218 4.0 10.7 1.0
C1 B:7M6304 4.0 11.4 1.0
C7 B:7M6304 4.0 11.9 1.0
N A:SER108 4.0 11.8 1.0
N A:GLY219 4.1 12.0 1.0
C A:MET107 4.2 10.8 1.0
CL1 A:7M6305 4.3 14.9 1.0
F1 A:7M6305 4.4 20.3 1.0
O A:HOH470 4.4 14.7 1.0
O A:HOH424 4.5 11.4 0.5
C4 A:7M6305 4.5 12.2 1.0
C2 B:7M6304 4.6 12.7 1.0
C2 A:7M6305 4.6 13.7 1.0
O A:HOH424 4.6 11.3 0.5
C1 A:7M6305 4.8 13.1 1.0
OG A:SER108 4.9 12.9 0.7
C A:SER108 4.9 12.7 1.0
C A:GLY219 4.9 11.9 1.0
CA A:PRO105 5.0 9.8 1.0

Chlorine binding site 6 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 6 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution


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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:50.3
occ:1.00
 N B:ASN22 3.0 16.0 1.0
O B:HOH552 3.3 15.6 1.0
O C:HOH495 3.6 31.6 1.0
CA B:ASN22 3.8 16.5 0.5
CA B:LYS21 3.9 19.1 1.0
CA B:ASN22 3.9 16.6 0.5
C B:LYS21 3.9 16.7 1.0
CD2 B:HIS23 4.1 15.1 1.0
O B:HOH525 4.1 43.5 1.0
O B:LYS20 4.2 14.1 1.0
O B:HOH641 4.4 50.6 1.0
N B:HIS23 4.5 14.8 1.0
OD1 B:ASN22 4.6 19.3 0.5
NE2 B:HIS23 4.6 17.1 1.0
CD B:LYS21 4.7 40.9 1.0
C B:ASN22 4.7 15.8 1.0
CB B:LYS21 4.7 25.9 1.0
N B:LYS21 4.8 16.2 1.0
C B:LYS20 5.0 14.4 1.0

Chlorine binding site 7 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 7 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution


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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl307

b:14.3
occ:1.00
 CL1 C:7M6307 0.0 14.3 1.0
C5 C:7M6307 1.7 12.7 1.0
C4 C:7M6307 2.7 11.9 1.0
C6 C:7M6307 2.7 13.1 1.0
OG D:SER108 3.1 11.3 0.3
C6 D:7M6305 3.4 11.2 1.0
O D:LYS218 3.5 12.0 1.0
CB D:PRO105 3.5 11.7 1.0
CG D:PRO105 3.6 11.7 1.0
CA D:GLY219 3.7 9.4 1.0
CA D:SER108 3.7 10.9 0.7
CA D:SER108 3.7 11.4 0.3
CB D:SER108 3.7 11.7 0.7
CB D:SER108 3.8 11.7 0.3
C7 D:7M6305 3.8 10.8 1.0
O D:MET107 3.9 10.1 1.0
C5 D:7M6305 3.9 11.7 1.0
C D:LYS218 4.0 12.6 1.0
C1 C:7M6307 4.0 12.4 1.0
C7 C:7M6307 4.0 13.5 1.0
N D:GLY219 4.1 10.8 1.0
N D:SER108 4.1 10.5 1.0
F1 D:7M6305 4.1 20.9 1.0
C D:MET107 4.2 10.2 1.0
CL1 D:7M6305 4.4 13.3 1.0
O C:HOH618 4.4 9.4 0.5
O D:HOH443 4.4 14.7 1.0
C2 C:7M6307 4.5 14.2 1.0
C2 D:7M6305 4.6 11.7 1.0
C4 D:7M6305 4.6 9.8 1.0
C D:GLY219 4.9 7.8 1.0
C1 D:7M6305 4.9 10.7 1.0
CA D:PRO105 5.0 10.2 1.0
OG D:SER108 5.0 11.8 0.7

Chlorine binding site 8 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 8 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution


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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl308

b:45.0
occ:1.00
 N C:THR5 3.2 19.6 1.0
OG1 C:THR5 3.4 20.6 1.0
O C:HOH487 3.7 44.0 1.0
CB C:THR5 3.8 19.2 1.0
CG C:LYS4 3.8 38.9 1.0
CA C:LYS4 3.9 27.0 1.0
C C:LYS4 4.0 22.2 1.0
CA C:THR5 4.1 17.8 1.0
CB C:LYS4 4.4 33.2 1.0
O C:HOH528 4.5 23.4 1.0
O C:ASN3 4.8 27.8 1.0

Chlorine binding site 9 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 9 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution


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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl305

b:13.3
occ:1.00
 CL1 D:7M6305 0.0 13.3 1.0
C5 D:7M6305 1.7 11.7 1.0
C4 D:7M6305 2.7 9.8 1.0
C6 D:7M6305 2.7 11.2 1.0
OG C:SER108 3.0 13.6 0.3
C6 C:7M6307 3.4 13.1 1.0
O C:LYS218 3.5 9.5 1.0
CB C:PRO105 3.5 10.1 1.0
CG C:PRO105 3.6 11.9 1.0
CA C:SER108 3.6 11.3 0.7
CA C:SER108 3.6 11.5 0.3
CB C:SER108 3.7 12.8 0.7
CB C:SER108 3.7 12.8 0.3
CA C:GLY219 3.7 9.8 1.0
C7 C:7M6307 3.8 13.5 1.0
C5 C:7M6307 3.9 12.7 1.0
O C:MET107 3.9 10.1 1.0
C1 D:7M6305 4.0 10.7 1.0
C C:LYS218 4.0 10.2 1.0
C7 D:7M6305 4.0 10.8 1.0
F1 C:7M6307 4.0 22.5 1.0
N C:SER108 4.1 11.1 1.0
N C:GLY219 4.2 9.2 1.0
C C:MET107 4.2 10.8 1.0
CL1 C:7M6307 4.4 14.3 1.0
O C:HOH618 4.4 9.4 0.5
O C:HOH497 4.5 12.4 1.0
C4 C:7M6307 4.5 11.9 1.0
C2 C:7M6307 4.5 14.2 1.0
C2 D:7M6305 4.6 11.7 1.0
C1 C:7M6307 4.8 12.4 1.0
C C:SER108 5.0 10.8 1.0
CA C:PRO105 5.0 9.4 1.0
OG C:SER108 5.0 13.5 0.7

Chlorine binding site 10 out of 11 in 5o9a

Go back to Chlorine Binding Sites List in 5o9a
Chlorine binding site 10 out of 11 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution


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 the GLUA2 Ligand-Binding Domain (S1S2J-L504Y- N775S) in Complex with Glutamate and BPAM121 at 1.78 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl306

b:59.3
occ:1.00
 O D:HOH542 3.0 23.4 1.0
ND1 D:HIS46 3.3 28.8 1.0
OH C:TYR94 3.9 18.2 1.0
CB D:HIS46 3.9 23.1 1.0
CG D:HIS46 4.0 26.2 1.0
CA D:ALA237 4.2 12.0 1.0
CE1 D:HIS46 4.2 30.2 1.0
CE2 C:TYR94 4.3 14.4 1.0
CB D:LYS240 4.4 13.3 1.0
N D:ALA237 4.5 12.2 1.0
O D:HOH624 4.5 28.4 1.0
O D:HIS46 4.5 27.1 1.0
CZ C:TYR94 4.6 16.4 1.0
CG D:LYS240 4.6 17.6 1.0
CB D:ALA237 4.6 13.3 1.0
O D:LEU236 4.7 11.4 1.0
C D:LEU236 4.7 11.4 1.0
CA D:HIS46 4.8 22.4 1.0
C D:HIS46 4.9 23.0 1.0

Reference:

E.Goffin, T.Drapier, A.P.Larsen, P.Geubelle, C.P.Ptak, S.Laulumaa, K.Rovinskaja, J.Gilissen, P.Tullio, L.Olsen, K.Frydenvang, B.Pirotte, J.Hanson, R.E.Oswald, J.S.Kastrup, P.Francotte. 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-Benzothiadiazine 1,1-Dioxides As Positive Allosteric Modulators of Alpha-Amino-3-Hydroxy-5-Methyl-4-Isoxazolepropionic Acid (Ampa) Receptors with Nanomolar Potency. J. Med. Chem. V. 61 251 2018.
ISSN: ISSN 1520-4804
PubMed: 29256599
DOI: 10.1021/ACS.JMEDCHEM.7B01323
Page generated: Sat Dec 12 12:11:52 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy