Fluorine in PDB 6ea4: ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor

The structure of ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor, PDB code: 6ea4 was solved by Z.Maben, L.J.Stern, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.29 / 2.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.233, 135.453, 127.283, 90.00, 90.11, 90.00
R / Rfree (%)	19.3 / 22.9

The structure of ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor (pdb code 6ea4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor, PDB code: 6ea4:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1003 b:86.3 occ:0.65 FAL A:J2G1003 0.0 86.3 0.7 CAT A:J2G1003 1.4 86.2 0.7 FAX A:J2G1003 2.2 85.9 0.7 FAU A:J2G1003 2.2 87.7 0.7 CAS A:J2G1003 2.4 78.8 0.7 CAK A:J2G1003 2.8 73.1 0.7 O A:HOH1420 3.1 67.3 1.0 CAR A:J2G1003 3.5 72.4 0.7 CAJ A:J2G1003 4.2 69.1 0.7 OH A:TYR892 4.5 65.1 1.0 CAQ A:J2G1003 4.7 72.2 0.7 CAI A:J2G1003 4.9 74.1 0.7 O A:HOH1412 5.0 75.0 1.0

Fluorine binding site 2 out of 6 in the ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1003 b:87.7 occ:0.65 FAU A:J2G1003 0.0 87.7 0.7 CAT A:J2G1003 1.4 86.2 0.7 FAL A:J2G1003 2.2 86.3 0.7 FAX A:J2G1003 2.2 85.9 0.7 CAS A:J2G1003 2.4 78.8 0.7 CE A:MET896 2.9 61.7 0.5 OH A:TYR892 3.0 65.1 1.0 CAK A:J2G1003 3.1 73.1 0.7 CAR A:J2G1003 3.3 72.4 0.7 SD A:MET896 3.6 60.2 0.5 CZ A:TYR892 3.9 60.3 1.0 CE2 A:TYR892 4.0 55.9 1.0 SD A:MET896 4.2 52.9 0.5 CG A:MET896 4.3 49.9 0.5 CAJ A:J2G1003 4.3 69.1 0.7 O A:HOH1392 4.4 81.0 1.0 O A:HOH1385 4.4 68.4 1.0 CG A:MET896 4.4 51.2 0.5 CAQ A:J2G1003 4.5 72.2 0.7 CAI A:J2G1003 4.9 74.1 0.7 O A:HOH1420 5.0 67.3 1.0

Fluorine binding site 3 out of 6 in the ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1003 b:85.9 occ:0.65 FAX A:J2G1003 0.0 85.9 0.7 CAT A:J2G1003 1.4 86.2 0.7 FAL A:J2G1003 2.2 86.3 0.7 FAU A:J2G1003 2.2 87.7 0.7 CAS A:J2G1003 2.4 78.8 0.7 CAR A:J2G1003 2.7 72.4 0.7 CAK A:J2G1003 3.6 73.1 0.7 O A:HOH1392 3.7 81.0 1.0 CE A:MET896 4.0 61.7 0.5 CAQ A:J2G1003 4.1 72.2 0.7 O A:HOH1420 4.2 67.3 1.0 SD A:MET896 4.4 60.2 0.5 CBE A:J2G1003 4.5 64.4 0.7 CB A:ALA857 4.5 38.9 1.0 CAJ A:J2G1003 4.8 69.1 0.7 O A:HOH1385 4.8 68.4 1.0 CAI A:J2G1003 5.0 74.1 0.7 NAZ A:J2G1003 5.0 67.7 0.7 CBD A:J2G1003 5.0 70.2 0.7

Fluorine binding site 4 out of 6 in the ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F1003 b:83.3 occ:0.51 FAL B:J2G1003 0.0 83.3 0.5 CAT B:J2G1003 1.4 82.4 0.5 FAX B:J2G1003 2.2 83.8 0.5 FAU B:J2G1003 2.2 85.9 0.5 CAS B:J2G1003 2.4 73.2 0.5 CAK B:J2G1003 2.8 70.4 0.5 CAR B:J2G1003 3.6 69.6 0.5 CAJ B:J2G1003 4.1 71.0 0.5 OH B:TYR892 4.5 90.4 1.0 CAQ B:J2G1003 4.7 69.3 0.5 SD B:MET896 4.8 71.7 0.4 CAI B:J2G1003 4.9 73.0 0.5

Fluorine binding site 5 out of 6 in the ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F1003 b:85.9 occ:0.51 FAU B:J2G1003 0.0 85.9 0.5 CAT B:J2G1003 1.4 82.4 0.5 FAX B:J2G1003 2.2 83.8 0.5 FAL B:J2G1003 2.2 83.3 0.5 CAS B:J2G1003 2.4 73.2 0.5 SD B:MET896 3.1 71.7 0.4 CAK B:J2G1003 3.2 70.4 0.5 CAR B:J2G1003 3.2 69.6 0.5 OH B:TYR892 3.3 90.4 1.0 CE2 B:TYR892 3.7 83.7 1.0 CE B:MET896 3.7 73.6 0.4 CZ B:TYR892 3.9 87.8 1.0 CG B:MET896 4.1 75.0 0.6 CAJ B:J2G1003 4.4 71.0 0.5 CAQ B:J2G1003 4.5 69.3 0.5 SD B:MET896 4.5 79.6 0.6 CG B:MET896 4.6 70.7 0.4 CD2 B:TYR892 4.9 81.7 1.0 CAI B:J2G1003 4.9 73.0 0.5 O B:HOH1182 5.0 63.2 1.0

Fluorine binding site 6 out of 6 in the ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of ERAP2 Bound to Aryl Sulfonamide Uncompetitive Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F1003 b:83.8 occ:0.51 FAX B:J2G1003 0.0 83.8 0.5 CAT B:J2G1003 1.4 82.4 0.5 FAU B:J2G1003 2.2 85.9 0.5 FAL B:J2G1003 2.2 83.3 0.5 CAS B:J2G1003 2.4 73.2 0.5 CAR B:J2G1003 2.7 69.6 0.5 CAK B:J2G1003 3.6 70.4 0.5 CAQ B:J2G1003 4.1 69.3 0.5 SD B:MET896 4.1 71.7 0.4 CE B:MET896 4.5 73.6 0.4 CBE B:J2G1003 4.6 58.7 0.5 CAJ B:J2G1003 4.7 71.0 0.5 CB B:ALA857 4.7 50.0 1.0 CAI B:J2G1003 4.9 73.0 0.5 NAZ B:J2G1003 5.0 63.4 0.5

Z.Maben, L.J.Stern. Crystal Structure of Human Er Aminopeptidase 1 Bound to Aryl Sulfonamide Inhibitor. To Be Published.