Calcium in PDB 6u2f: PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2

Protein crystallography data

The structure of PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2, PDB code: 6u2f was solved by M.H.Ultsch, D.Kirchhofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.37 / 2.94
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 110.569, 142.740, 239.287, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 20.9

Calcium Binding Sites:

The binding sites of Calcium atom in the PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2 (pdb code 6u2f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2, PDB code: 6u2f:

Calcium binding site 1 out of 1 in 6u2f

Go back to Calcium Binding Sites List in 6u2f
Calcium binding site 1 out of 1 in the PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of PCSK9-Fab 7G7 Complex Bound to Cis-1-Amino-4-Phenylcyclohexaneacyl- Wnlk(Hr)Igllr - NH2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca801

b:87.1
occ:1.00
O A:GLN554 2.6 42.5 1.0
O A:CYS552 2.6 42.4 1.0
O A:HIS557 2.8 42.7 1.0
HA A:GLN555 3.4 46.0 1.0
C A:GLN554 3.4 44.2 1.0
H A:HIS557 3.5 45.5 1.0
H A:GLY556 3.8 47.3 1.0
C A:CYS552 3.8 42.1 1.0
C A:HIS557 3.9 44.9 1.0
HB2 A:CYS552 4.1 42.2 1.0
N A:HIS557 4.1 45.6 1.0
N A:GLN554 4.1 35.3 1.0
C A:HIS553 4.2 39.8 1.0
CA A:GLN555 4.2 46.0 1.0
N A:GLN555 4.2 44.0 1.0
HB2 A:HIS557 4.2 42.8 1.0
N A:GLY556 4.3 47.4 1.0
O A:HIS553 4.3 42.3 1.0
HB3 A:CYS552 4.3 41.5 1.0
CA A:GLN554 4.4 37.6 1.0
H A:GLN554 4.4 35.2 1.0
HA A:HIS553 4.4 36.2 1.0
OE1 A:GLN555 4.4 84.0 1.0
HA A:VAL558 4.5 41.2 1.0
CA A:HIS557 4.5 44.5 1.0
C A:GLN555 4.6 49.7 1.0
CB A:CYS552 4.6 41.9 1.0
N A:HIS553 4.6 37.0 1.0
CA A:HIS553 4.7 36.2 1.0
CA A:CYS552 4.8 40.2 1.0
HB2 A:GLN554 4.9 37.9 1.0
C A:GLY556 4.9 50.7 1.0
CB A:HIS557 4.9 43.2 1.0
N A:VAL558 5.0 42.0 1.0

Reference:

D.J.Burdick, N.J.Skelton, M.Ultsch, M.H.Beresini, C.Eigenbrot, W.Li, Y.Zhang, H.Nguyen, M.Kong-Beltran, J.G.Quinn, D.Kirchhofer. Design of Organo-Peptides As Bipartite PCSK9 Antagonists. Acs Chem.Biol. 2020.
ISSN: ESSN 1554-8937
PubMed: 31962046
DOI: 10.1021/ACSCHEMBIO.9B00899
Page generated: Sat Dec 12 07:46:39 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