Zinc in PDB 6gps: Crystal Structure of CCR2A in Complex with Mk-0812

The structure of Crystal Structure of CCR2A in Complex with Mk-0812, PDB code: 6gps was solved by A.Pautsch, G.Schnapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.89 / 3.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.500, 61.200, 123.570, 90.00, 97.66, 90.00
R / Rfree (%)	24.3 / 29.6

The structure of Crystal Structure of CCR2A in Complex with Mk-0812 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Zinc atom in the Crystal Structure of CCR2A in Complex with Mk-0812 (pdb code 6gps). 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 Crystal Structure of CCR2A in Complex with Mk-0812, PDB code: 6gps:

Zinc binding site 1 out of 1 in the Crystal Structure of CCR2A in Complex with Mk-0812


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of CCR2A in Complex with Mk-0812 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1101 b:0.6 occ:1.00 SG A:CYS1042 2.2 0.1 1.0 SG A:CYS1009 2.4 0.6 1.0 SG A:CYS1039 2.5 0.6 1.0 HG22 A:VAL1044 2.8 0.3 0.0 SG A:CYS1006 2.8 0.2 1.0 H A:CYS1042 3.0 0.3 0.0 HB3 A:CYS1039 3.1 0.8 0.0 H A:CYS1009 3.1 0.7 0.0 CB A:CYS1039 3.3 0.8 1.0 HB2 A:CYS1039 3.4 0.8 0.0 HB3 A:CYS1009 3.4 0.8 0.0 CB A:CYS1009 3.6 0.8 1.0 HB A:VAL1008 3.7 0.1 0.0 CG2 A:VAL1044 3.7 0.3 1.0 HG21 A:VAL1044 3.7 0.3 0.0 HB3 A:CYS1006 3.7 0.4 0.0 CB A:CYS1006 3.7 0.4 1.0 HB2 A:CYS1006 3.7 0.4 0.0 CB A:CYS1042 3.8 0.3 1.0 HG A:CYS1006 3.8 0.2 0.0 H A:VAL1044 3.8 0.2 0.0 HB3 A:TYR1011 3.9 0.1 0.0 N A:CYS1042 3.9 0.3 1.0 N A:CYS1009 4.0 0.7 1.0 HB3 A:CYS1042 4.1 0.3 0.0 HB2 A:LEU1041 4.1 0.3 0.0 H A:TYR1011 4.3 0.2 0.0 HB3 A:LEU1041 4.3 0.3 0.0 HG23 A:VAL1044 4.3 0.3 0.0 HG11 A:VAL1044 4.3 0.5 0.0 H A:GLY1043 4.3 0.1 0.0 CA A:CYS1042 4.3 0.9 1.0 CA A:CYS1009 4.4 0.6 1.0 HB2 A:CYS1009 4.4 0.8 0.0 HB2 A:TYR1011 4.5 0.1 0.0 H A:LEU1041 4.5 0.8 0.0 HG13 A:VAL1044 4.5 0.5 0.0 HB2 A:CYS1042 4.5 0.3 0.0 HZ A:PHE1049 4.6 0.4 0.0 CB A:LEU1041 4.7 0.3 1.0 CB A:TYR1011 4.7 0.1 1.0 H A:VAL1008 4.7 0.3 0.0 CG1 A:VAL1044 4.7 0.5 1.0 H A:GLY1010 4.7 0.7 0.0 CB A:VAL1008 4.7 0.1 1.0 CB A:VAL1044 4.7 0.5 1.0 CA A:CYS1039 4.7 0.3 1.0 N A:GLY1043 4.8 0.1 1.0 N A:VAL1044 4.8 0.2 1.0 C A:CYS1042 4.9 0.5 1.0 HG12 A:VAL1008 4.9 0.9 0.0 C A:LEU1041 5.0 0.3 1.0

A.K.Apel, R.K.Y.Cheng, C.S.Tautermann, M.Brauchle, C.Y.Huang, A.Pautsch, M.Hennig, H.Nar, G.Schnapp. Crystal Structure of Cc Chemokine Receptor 2A in Complex with An Orthosteric Antagonist Provides Insights For the Design of Selective Antagonists. Structure V. 27 427 2019.
ISSN: ISSN 1878-4186
PubMed: 30581043
DOI: 10.1016/J.STR.2018.10.027