Zinc in PDB 6q4r: High-Resolution Crystal Structure of ERAP1 with Bound Phosphinic Transition-State Analogue Inhibitor

The structure of High-Resolution Crystal Structure of ERAP1 with Bound Phosphinic Transition-State Analogue Inhibitor, PDB code: 6q4r was solved by P.Giastas, M.Neu, P.Rowland, E.Stratikos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.45 / 1.60
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.683, 116.669, 147.267, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 21.3

The structure of High-Resolution Crystal Structure of ERAP1 with Bound Phosphinic Transition-State Analogue Inhibitor also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Zinc atom in the High-Resolution Crystal Structure of ERAP1 with Bound Phosphinic Transition-State Analogue Inhibitor (pdb code 6q4r). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the High-Resolution Crystal Structure of ERAP1 with Bound Phosphinic Transition-State Analogue Inhibitor, PDB code: 6q4r:

Zinc binding site 1 out of 1 in the High-Resolution Crystal Structure of ERAP1 with Bound Phosphinic Transition-State Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of High-Resolution Crystal Structure of ERAP1 with Bound Phosphinic Transition-State Analogue Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1008 b:18.2 occ:1.00 O13 A:HJ51009 1.9 20.1 1.0 OE1 A:GLU376 1.9 13.9 1.0 NE2 A:HIS353 2.0 14.0 1.0 NE2 A:HIS357 2.1 22.9 1.0 CD A:GLU376 2.7 22.1 1.0 OE2 A:GLU376 2.9 19.3 1.0 CD2 A:HIS353 3.0 18.7 1.0 O12 A:HJ51009 3.0 16.9 1.0 CE1 A:HIS357 3.0 13.2 1.0 CE1 A:HIS353 3.0 15.0 1.0 P11 A:HJ51009 3.0 17.2 1.0 CD2 A:HIS357 3.1 20.1 1.0 HN12 A:HJ51009 3.1 20.2 1.0 HN10 A:HJ51009 3.3 20.2 1.0 N10 A:HJ51009 3.6 16.8 1.0 OH A:TYR438 3.8 19.0 1.0 CE2 A:TYR438 3.8 15.0 1.0 H15 A:HJ51009 3.9 22.0 1.0 ND1 A:HIS353 4.1 17.8 1.0 CG A:HIS353 4.1 14.6 1.0 ND1 A:HIS357 4.1 18.7 1.0 C1 A:HJ51009 4.1 16.0 1.0 CB A:ALA379 4.2 17.2 1.0 CZ A:TYR438 4.2 19.5 1.0 CG A:GLU376 4.2 18.6 1.0 CG A:HIS357 4.2 19.8 1.0 H161 A:HJ51009 4.2 20.6 1.0 C14 A:HJ51009 4.4 15.0 1.0 C15 A:HJ51009 4.5 18.3 1.0 OE1 A:GLU320 4.5 18.3 1.0 HN11 A:HJ51009 4.6 20.2 1.0 CA A:GLU376 4.6 17.0 1.0 CB A:GLU376 4.7 17.1 1.0 H22 A:HJ51009 4.8 21.9 1.0 CD2 A:TYR438 4.8 15.0 1.0 H141 A:HJ51009 4.9 18.0 1.0 OE2 A:GLU354 4.9 20.9 1.0 C16 A:HJ51009 4.9 17.2 1.0 H1 A:HJ51009 4.9 19.2 1.0 O A:HOH1245 4.9 16.4 1.0

P.Giastas, M.Neu, P.Rowland, E.Stratikos. High-Resolution Crystal Structure of Endoplasmic Reticulum Aminopeptidase 1 with Bound Phosphinic Transition-State Analogue Inhibitor. Acs Med.Chem.Lett. V. 10 708 2019.
ISSN: ISSN 1948-5875
PubMed: 31097987
DOI: 10.1021/ACSMEDCHEMLETT.9B00002