Atomistry » Chlorine » PDB 4mdq-4mks » 4mf3
Atomistry »
  Chlorine »
    PDB 4mdq-4mks »
      4mf3 »

Chlorine in PDB 4mf3: Crystal Structure of Human GRIK1 Complexed with A 6-(Tetrazolyl)Aryl Decahydroisoquinoline Antagonist

Protein crystallography data

The structure of Crystal Structure of Human GRIK1 Complexed with A 6-(Tetrazolyl)Aryl Decahydroisoquinoline Antagonist, PDB code: 4mf3 was solved by J.A.Martinez-Perez, S.Iyengar, H.E.Shannon, D.Bleakman, A.Alt, D.K.Clawson, B.M.Arnold, M.G.Bell, T.J.Bleisch, A.M.Castano, M.Del Prado, E.Dominguez, A.M.Escribano, S.A.Filla, K.H.Ho, K.J.Hudziak, C.K.Jones, M.A.Katofiasc, A.Mateo, B.M.Mathes, E.L.Mattiuz, A.M.L.Ogden, L.A.Phebus, R.M.A.Simmons, D.R.Stack, R.E.Stratford, M.A.Winter, Z.Wu, P.L.Ornstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.00
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.018, 108.018, 109.766, 90.00, 90.00, 120.00
R / Rfree (%) 23.7 / 26

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human GRIK1 Complexed with A 6-(Tetrazolyl)Aryl Decahydroisoquinoline Antagonist (pdb code 4mf3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human GRIK1 Complexed with A 6-(Tetrazolyl)Aryl Decahydroisoquinoline Antagonist, PDB code: 4mf3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4mf3

Go back to Chlorine Binding Sites List in 4mf3
Chlorine binding site 1 out of 2 in the Crystal Structure of Human GRIK1 Complexed with A 6-(Tetrazolyl)Aryl Decahydroisoquinoline Antagonist


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 GRIK1 Complexed with A 6-(Tetrazolyl)Aryl Decahydroisoquinoline Antagonist within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:97.4
occ:1.00
CL A:SXI301 0.0 97.4 1.0
C15 A:SXI301 1.7 90.8 1.0
C14 A:SXI301 2.5 87.7 1.0
C A:SXI301 2.7 84.9 1.0
C16 A:SXI301 3.0 87.3 1.0
N4 A:SXI301 3.5 87.8 1.0
CB A:SER174 3.7 0.7 1.0
CE A:MET190 3.7 73.9 1.0
N1 A:SXI301 3.7 87.5 1.0
C13 A:SXI301 3.8 83.8 1.0
CB A:MET190 3.9 67.9 1.0
C1 A:SXI301 3.9 75.6 1.0
SD A:MET190 3.9 77.3 1.0
C12 A:SXI301 4.3 80.0 1.0
CA A:SER174 4.3 0.1 1.0
N3 A:SXI301 4.4 88.1 1.0
N2 A:SXI301 4.5 88.0 1.0
CG A:MET190 4.5 72.0 1.0
CD2 A:LEU188 4.8 85.6 1.0
OG A:SER174 4.9 0.7 1.0
O A:SXI301 5.0 64.1 1.0

Chlorine binding site 2 out of 2 in 4mf3

Go back to Chlorine Binding Sites List in 4mf3
Chlorine binding site 2 out of 2 in the Crystal Structure of Human GRIK1 Complexed with A 6-(Tetrazolyl)Aryl Decahydroisoquinoline Antagonist


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 GRIK1 Complexed with A 6-(Tetrazolyl)Aryl Decahydroisoquinoline Antagonist within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:0.9
occ:1.00
CL B:SXI301 0.0 0.9 1.0
C15 B:SXI301 1.7 97.2 1.0
C14 B:SXI301 2.5 95.6 1.0
C B:SXI301 2.7 90.9 1.0
CE B:MET190 3.1 80.2 1.0
C16 B:SXI301 3.1 89.2 1.0
N1 B:SXI301 3.3 88.5 1.0
CB B:MET190 3.6 74.2 1.0
SD B:MET190 3.6 83.0 1.0
C13 B:SXI301 3.8 92.0 1.0
C1 B:SXI301 3.9 85.5 1.0
CB B:SER174 4.0 1.0 1.0
CG B:MET190 4.2 78.2 1.0
N4 B:SXI301 4.2 88.6 1.0
C12 B:SXI301 4.3 89.1 1.0
CD2 B:LEU188 4.4 89.5 1.0
N2 B:SXI301 4.4 88.5 1.0
CB B:SER194 4.7 65.3 1.0
CA B:SER174 4.7 0.7 1.0
CA B:MET190 4.9 71.5 1.0
N3 B:SXI301 4.9 89.5 1.0
CD1 B:ILE178 4.9 0.1 1.0
O B:SXI301 5.0 74.1 1.0

Reference:

J.A.Martinez-Perez, S.Iyengar, H.E.Shannon, D.Bleakman, A.Alt, D.K.Clawson, B.M.Arnold, M.G.Bell, T.J.Bleisch, A.M.Castano, M.Del Prado, E.Dominguez, A.M.Escribano, S.A.Filla, K.H.Ho, K.J.Hudziak, C.K.Jones, A.Mateo, B.M.Mathes, E.L.Mattiuz, A.M.Ogden, R.M.Simmons, D.R.Stack, R.E.Stratford, M.A.Winter, Z.Wu, P.L.Ornstein. GLUK1 Antagonists From 6-(Tetrazolyl)Phenyl Decahydroisoquinoline Derivatives: in Vitro Profile and in Vivo Analgesic Efficacy. Bioorg.Med.Chem.Lett. V. 23 6463 2013.
ISSN: ISSN 0960-894X
PubMed: 24140446
DOI: 10.1016/J.BMCL.2013.09.045
Page generated: Sat Dec 12 10:55:27 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