Fluorine in PDB 4u4g: Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775

The structure of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775, PDB code: 4u4g was solved by M.V.Yelshanskaya, M.Li, A.I.Sobolevsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 4.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	91.999, 310.360, 109.502, 90.00, 94.82, 90.00
R / Rfree (%)	21.7 / 24.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 (pdb code 4u4g). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775, PDB code: 4u4g:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ A:F833 b:0.4 occ:1.00 FAF A:ZK1833 0.0 0.4 1.0 CAZ A:ZK1833 1.3 0.4 1.0 FAH A:ZK1833 2.2 0.4 1.0 FAG A:ZK1833 2.2 0.4 1.0 CAS A:ZK1833 2.3 0.4 1.0 OH A:TYR732 3.0 0.2 1.0 CAR A:ZK1833 3.1 0.4 1.0 CAJ A:ZK1833 3.3 0.4 1.0 OG1 A:THR707 3.3 1.0 1.0 CAM A:ZK1833 3.3 0.4 1.0 NAX A:ZK1833 3.4 0.4 1.0 CZ A:TYR732 4.1 0.2 1.0 CB A:GLU705 4.2 0.8 1.0 CAN A:ZK1833 4.3 0.4 1.0 CB A:THR707 4.4 1.0 1.0 CAI A:ZK1833 4.4 0.4 1.0 CE2 A:TYR732 4.4 0.2 1.0 CAV A:ZK1833 4.5 0.4 1.0 CAK A:ZK1833 4.7 0.4 1.0 CB A:MET708 4.8 0.1 1.0 N A:MET708 4.8 0.1 1.0 OH A:TYR450 4.9 1.0 1.0

Fluorine binding site 2 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ A:F833 b:0.4 occ:1.00 FAG A:ZK1833 0.0 0.4 1.0 CAZ A:ZK1833 1.3 0.4 1.0 FAF A:ZK1833 2.2 0.4 1.0 FAH A:ZK1833 2.2 0.4 1.0 CAS A:ZK1833 2.3 0.4 1.0 CAJ A:ZK1833 2.6 0.4 1.0 CB A:PRO478 3.3 0.8 1.0 OH A:TYR450 3.3 1.0 1.0 OH A:TYR732 3.4 0.2 1.0 CAR A:ZK1833 3.7 0.4 1.0 CG A:PRO478 3.7 0.8 1.0 CZ A:TYR732 3.9 0.2 1.0 CE2 A:TYR732 4.0 0.2 1.0 CAV A:ZK1833 4.0 0.4 1.0 CE1 A:TYR405 4.1 0.5 1.0 CZ A:TYR450 4.3 1.0 1.0 O A:PRO478 4.3 0.8 1.0 NAX A:ZK1833 4.3 0.4 1.0 CG A:GLU402 4.4 0.6 1.0 CZ A:TYR405 4.6 0.5 1.0 OH A:TYR405 4.7 0.5 1.0 CD1 A:TYR405 4.7 0.5 1.0 CA A:PRO478 4.7 0.8 1.0 CE1 A:TYR450 4.7 1.0 1.0 CAI A:ZK1833 4.8 0.4 1.0 OG1 A:THR707 4.8 1.0 1.0 NAP A:ZK1833 4.8 0.4 1.0 CE1 A:TYR732 4.8 0.2 1.0 CAN A:ZK1833 4.9 0.4 1.0 CAM A:ZK1833 4.9 0.4 1.0 CAW A:ZK1833 4.9 0.4 1.0 CD A:PRO478 5.0 0.8 1.0

Fluorine binding site 3 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ A:F833 b:0.4 occ:1.00 FAH A:ZK1833 0.0 0.4 1.0 CAZ A:ZK1833 1.3 0.4 1.0 FAF A:ZK1833 2.2 0.4 1.0 FAG A:ZK1833 2.2 0.4 1.0 CAS A:ZK1833 2.3 0.4 1.0 NAX A:ZK1833 2.9 0.4 1.0 CAR A:ZK1833 2.9 0.4 1.0 CAN A:ZK1833 3.1 0.4 1.0 OE1 A:GLU402 3.3 0.6 1.0 CAM A:ZK1833 3.5 0.4 1.0 CAJ A:ZK1833 3.5 0.4 1.0 CG A:GLU402 3.6 0.6 1.0 OH A:TYR450 3.6 1.0 1.0 CD A:GLU402 3.8 0.6 1.0 CAI A:ZK1833 4.3 0.4 1.0 CAL A:ZK1833 4.3 0.4 1.0 CAK A:ZK1833 4.6 0.4 1.0 CZ A:TYR450 4.7 1.0 1.0 CAV A:ZK1833 4.7 0.4 1.0 OH A:TYR732 4.8 0.2 1.0 CB A:GLU402 4.9 0.6 1.0 OE2 A:GLU402 5.0 0.6 1.0

Fluorine binding site 4 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ B:F833 b:0.1 occ:1.00 FAF B:ZK1833 0.0 0.1 1.0 CAZ B:ZK1833 1.3 0.1 1.0 FAH B:ZK1833 2.2 0.1 1.0 FAG B:ZK1833 2.2 0.1 1.0 CAS B:ZK1833 2.3 0.1 1.0 OH B:TYR732 2.8 0.9 1.0 OG1 B:THR707 3.1 0.6 1.0 CAR B:ZK1833 3.1 0.1 1.0 CAM B:ZK1833 3.2 0.1 1.0 NAX B:ZK1833 3.3 0.1 1.0 CAJ B:ZK1833 3.3 0.1 1.0 CZ B:TYR732 4.0 0.9 1.0 CB B:GLU705 4.1 0.2 1.0 CAN B:ZK1833 4.1 0.1 1.0 CB B:THR707 4.3 0.6 1.0 CAK B:ZK1833 4.3 0.1 1.0 CAI B:ZK1833 4.4 0.1 1.0 CE2 B:TYR732 4.6 0.9 1.0 CAV B:ZK1833 4.6 0.1 1.0 CE2 B:TYR405 4.7 0.2 1.0 CB B:MET708 4.8 0.7 1.0 N B:MET708 4.9 0.7 1.0 OH B:TYR405 4.9 0.2 1.0 CE1 B:TYR732 5.0 0.9 1.0

Fluorine binding site 5 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ B:F833 b:0.1 occ:1.00 FAG B:ZK1833 0.0 0.1 1.0 CAZ B:ZK1833 1.3 0.1 1.0 FAH B:ZK1833 2.2 0.1 1.0 FAF B:ZK1833 2.2 0.1 1.0 CAS B:ZK1833 2.3 0.1 1.0 CAJ B:ZK1833 2.6 0.1 1.0 OH B:TYR732 3.1 0.9 1.0 CB B:PRO478 3.2 0.8 1.0 CAR B:ZK1833 3.7 0.1 1.0 CZ B:TYR732 3.7 0.9 1.0 OH B:TYR450 3.7 0.6 1.0 CE2 B:TYR405 3.8 0.2 1.0 CG B:PRO478 3.8 0.8 1.0 CAV B:ZK1833 4.1 0.1 1.0 CE2 B:TYR732 4.1 0.9 1.0 CZ B:TYR405 4.3 0.2 1.0 NAX B:ZK1833 4.3 0.1 1.0 CD2 B:TYR405 4.3 0.2 1.0 O B:PRO478 4.4 0.8 1.0 CG B:GLU402 4.5 0.8 1.0 OH B:TYR405 4.5 0.2 1.0 CE1 B:TYR732 4.5 0.9 1.0 OG1 B:THR707 4.5 0.6 1.0 CZ B:TYR450 4.6 0.6 1.0 CA B:PRO478 4.6 0.8 1.0 CAI B:ZK1833 4.8 0.1 1.0 CAM B:ZK1833 4.8 0.1 1.0 NAP B:ZK1833 4.8 0.1 1.0 CAN B:ZK1833 4.9 0.1 1.0 CAW B:ZK1833 5.0 0.1 1.0 CE1 B:TYR450 5.0 0.6 1.0

Fluorine binding site 6 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ B:F833 b:0.1 occ:1.00 FAH B:ZK1833 0.0 0.1 1.0 CAZ B:ZK1833 1.3 0.1 1.0 FAG B:ZK1833 2.2 0.1 1.0 FAF B:ZK1833 2.2 0.1 1.0 CAS B:ZK1833 2.3 0.1 1.0 NAX B:ZK1833 2.9 0.1 1.0 CAR B:ZK1833 3.0 0.1 1.0 CAN B:ZK1833 3.1 0.1 1.0 CG B:GLU402 3.3 0.8 1.0 CAJ B:ZK1833 3.5 0.1 1.0 CAM B:ZK1833 3.6 0.1 1.0 CD B:GLU402 3.7 0.8 1.0 OH B:TYR450 3.7 0.6 1.0 OE1 B:GLU402 3.9 0.8 1.0 CAL B:ZK1833 4.1 0.1 1.0 CAI B:ZK1833 4.3 0.1 1.0 OE2 B:GLU402 4.3 0.8 1.0 CB B:GLU402 4.4 0.8 1.0 CAK B:ZK1833 4.5 0.1 1.0 OH B:TYR732 4.6 0.9 1.0 SD B:MET708 4.6 0.7 1.0 CE2 B:TYR405 4.7 0.2 1.0 CAV B:ZK1833 4.7 0.1 1.0 CZ B:TYR450 4.8 0.6 1.0 OAQ B:ZK1833 4.9 0.1 1.0 OG1 B:THR707 5.0 0.6 1.0

Fluorine binding site 7 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ C:F833 b:0.6 occ:1.00 FAF C:ZK1833 0.0 0.6 1.0 CAZ C:ZK1833 1.3 0.6 1.0 FAH C:ZK1833 2.2 0.6 1.0 FAG C:ZK1833 2.2 0.6 1.0 CAS C:ZK1833 2.3 0.6 1.0 OH C:TYR732 3.0 0.3 1.0 CAR C:ZK1833 3.1 0.6 1.0 OG1 C:THR707 3.1 0.1 1.0 CAM C:ZK1833 3.2 0.6 1.0 NAX C:ZK1833 3.3 0.6 1.0 CAJ C:ZK1833 3.3 0.6 1.0 CB C:GLU705 4.1 0.4 1.0 CAN C:ZK1833 4.1 0.6 1.0 CZ C:TYR732 4.1 0.3 1.0 CB C:MET708 4.4 0.5 1.0 CAI C:ZK1833 4.4 0.6 1.0 CAK C:ZK1833 4.5 0.6 1.0 CB C:THR707 4.5 0.1 1.0 N C:MET708 4.5 0.5 1.0 CAV C:ZK1833 4.6 0.6 1.0 CE2 C:TYR732 4.7 0.3 1.0 CA C:MET708 5.0 0.5 1.0

Fluorine binding site 8 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ C:F833 b:0.6 occ:1.00 FAG C:ZK1833 0.0 0.6 1.0 CAZ C:ZK1833 1.3 0.6 1.0 FAH C:ZK1833 2.2 0.6 1.0 FAF C:ZK1833 2.2 0.6 1.0 CAS C:ZK1833 2.3 0.6 1.0 CAJ C:ZK1833 2.6 0.6 1.0 OH C:TYR732 3.1 0.3 1.0 CB C:PRO478 3.2 0.7 1.0 CZ C:TYR732 3.6 0.3 1.0 OH C:TYR450 3.6 0.1 1.0 CAR C:ZK1833 3.7 0.6 1.0 CG C:PRO478 3.7 0.7 1.0 CE2 C:TYR732 3.9 0.3 1.0 OG1 C:THR707 4.0 0.1 1.0 CAV C:ZK1833 4.0 0.6 1.0 CE2 C:TYR405 4.2 0.7 1.0 NAX C:ZK1833 4.4 0.6 1.0 CZ C:TYR450 4.4 0.1 1.0 O C:PRO478 4.5 0.7 1.0 CE1 C:TYR732 4.5 0.3 1.0 CD2 C:TYR405 4.7 0.7 1.0 CA C:PRO478 4.7 0.7 1.0 CZ C:TYR405 4.7 0.7 1.0 CAI C:ZK1833 4.8 0.6 1.0 CE1 C:TYR450 4.8 0.1 1.0 NAP C:ZK1833 4.8 0.6 1.0 OH C:TYR405 4.9 0.7 1.0 CAM C:ZK1833 4.9 0.6 1.0 CAN C:ZK1833 4.9 0.6 1.0 CD2 C:TYR732 4.9 0.3 1.0 CAW C:ZK1833 4.9 0.6 1.0 CD C:PRO478 5.0 0.7 1.0

Fluorine binding site 9 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ C:F833 b:0.6 occ:1.00 FAH C:ZK1833 0.0 0.6 1.0 CAZ C:ZK1833 1.3 0.6 1.0 FAF C:ZK1833 2.2 0.6 1.0 FAG C:ZK1833 2.2 0.6 1.0 CAS C:ZK1833 2.3 0.6 1.0 NAX C:ZK1833 2.9 0.6 1.0 CAR C:ZK1833 2.9 0.6 1.0 CAN C:ZK1833 3.1 0.6 1.0 OH C:TYR450 3.5 0.1 1.0 CAJ C:ZK1833 3.5 0.6 1.0 CAM C:ZK1833 3.6 0.6 1.0 CG C:GLU402 3.7 0.9 1.0 CD C:GLU402 3.8 0.9 1.0 OE1 C:GLU402 3.9 0.9 1.0 CAL C:ZK1833 4.2 0.6 1.0 CAI C:ZK1833 4.3 0.6 1.0 OE2 C:GLU402 4.4 0.9 1.0 SD C:MET708 4.5 0.5 1.0 CZ C:TYR450 4.5 0.1 1.0 CAK C:ZK1833 4.6 0.6 1.0 OH C:TYR732 4.7 0.3 1.0 CAV C:ZK1833 4.7 0.6 1.0 OG1 C:THR707 4.7 0.1 1.0 CB C:GLU402 4.8 0.9 1.0 CB C:MET708 4.9 0.5 1.0

Fluorine binding site 10 out of 12 in the Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of GLUA2* in Complex with Competitive Antagonist Zk 200775 within 5.0Å range: probe atom residue distance (Å) B Occ D:F833 b:0.1 occ:1.00 FAF D:ZK1833 0.0 0.1 1.0 CAZ D:ZK1833 1.3 0.1 1.0 FAH D:ZK1833 2.2 0.1 1.0 FAG D:ZK1833 2.2 0.1 1.0 CAS D:ZK1833 2.3 0.1 1.0 OG1 D:THR707 2.8 0.7 1.0 OH D:TYR732 2.8 64.2 1.0 CAR D:ZK1833 3.1 0.1 1.0 CAM D:ZK1833 3.2 0.1 1.0 CAJ D:ZK1833 3.3 0.1 1.0 NAX D:ZK1833 3.3 0.1 1.0 CZ D:TYR732 4.0 64.2 1.0 CB D:GLU705 4.1 0.8 1.0 CB D:THR707 4.2 0.7 1.0 CAK D:ZK1833 4.3 0.1 1.0 CAN D:ZK1833 4.3 0.1 1.0 CAI D:ZK1833 4.4 0.1 1.0 CB D:MET708 4.4 1.0 1.0 N D:MET708 4.4 1.0 1.0 CAV D:ZK1833 4.5 0.1 1.0 CE2 D:TYR732 4.6 64.2 1.0 CE2 D:TYR405 4.7 96.2 1.0 OH D:TYR405 4.8 96.2 1.0 CG2 D:THR707 4.9 0.7 1.0 CA D:MET708 4.9 1.0 1.0

M.V.Yelshanskaya, M.Li, A.I.Sobolevsky. Structure of An Agonist-Bound Ionotropic Glutamate Receptor. Science V. 345 1070 2014.
ISSN: ESSN 1095-9203
PubMed: 25103407
DOI: 10.1126/SCIENCE.1256508