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Calcium in PDB 4msp: Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs

Enzymatic activity of Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs

All present enzymatic activity of Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs:
5.2.1.8;

Protein crystallography data

The structure of Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs, PDB code: 4msp was solved by S.P.Boudko, Y.Ishikawa, H.P.Bachinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.19 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 36.430, 101.200, 58.970, 90.00, 100.01, 90.00
R / Rfree (%) 15.8 / 20

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs (pdb code 4msp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs, PDB code: 4msp:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 4msp

Go back to Calcium Binding Sites List in 4msp
Calcium binding site 1 out of 5 in the Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca201

b:38.0
occ:1.00
 O A:LYS135 2.2 37.2 1.0
OD1 A:ASN131 2.3 45.0 1.0
OD1 A:ASP129 2.3 36.8 1.0
OD1 A:ASP133 2.4 39.8 1.0
O A:HOH345 2.4 36.4 1.0
OE2 A:GLU140 2.5 39.9 1.0
OE1 A:GLU140 2.6 39.6 1.0
CD A:GLU140 2.9 37.2 1.0
CG A:ASP133 3.3 44.3 1.0
CG A:ASN131 3.4 44.0 1.0
C A:LYS135 3.4 37.6 1.0
CG A:ASP129 3.5 41.9 1.0
OD2 A:ASP133 3.7 49.5 1.0
ND2 A:ASN131 4.0 45.9 1.0
N A:ASP133 4.2 45.9 1.0
CA A:ASP129 4.2 34.8 1.0
N A:ASN131 4.2 35.2 1.0
N A:LYS135 4.2 46.8 1.0
CA A:LEU136 4.3 35.5 1.0
OD2 A:ASP129 4.3 41.5 1.0
N A:LEU136 4.3 38.5 1.0
CB A:ASP129 4.4 33.4 1.0
CG A:GLU140 4.4 33.4 1.0
C A:ASP129 4.4 41.8 1.0
N A:SER137 4.4 37.5 1.0
CA A:LYS135 4.4 41.4 1.0
CB A:ASP133 4.5 42.4 1.0
CB A:ASN131 4.5 40.5 1.0
N A:LEU130 4.6 36.9 1.0
N A:ASP132 4.6 43.5 1.0
CG A:LYS135 4.7 43.7 1.0
O A:HOH323 4.7 42.2 1.0
CA A:ASN131 4.7 38.1 1.0
CA A:ASP133 4.7 47.0 1.0
C A:ASN131 4.8 44.0 1.0
C A:LEU136 4.8 41.1 1.0
N A:TRP134 4.9 42.6 1.0
O A:HOH350 4.9 55.9 1.0
C A:ASP133 4.9 44.6 1.0
O A:ASP129 4.9 37.0 1.0

Calcium binding site 2 out of 5 in 4msp

Go back to Calcium Binding Sites List in 4msp
Calcium binding site 2 out of 5 in the Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca202

b:48.7
occ:1.00
 OD1 A:ASP173 2.3 56.1 1.0
OD2 A:ASP175 2.3 51.4 1.0
OD1 A:ASP177 2.4 57.0 1.0
O A:PHE179 2.5 49.8 1.0
O A:HOH358 2.6 57.4 1.0
OE1 A:GLU184 2.6 67.1 1.0
OE2 A:GLU184 2.8 65.0 1.0
CD A:GLU184 3.1 63.5 1.0
CG A:ASP173 3.4 52.5 1.0
CG A:ASP175 3.4 64.5 1.0
CG A:ASP177 3.5 60.8 1.0
C A:PHE179 3.5 48.5 1.0
OD1 A:ASP175 3.9 65.6 1.0
OD2 A:ASP177 4.1 61.7 1.0
N A:PHE179 4.1 48.9 1.0
N A:ASP177 4.1 60.2 1.0
N A:GLU174 4.2 53.0 1.0
OD2 A:ASP173 4.2 52.5 1.0
CA A:ASP173 4.2 49.2 1.0
CA A:PHE179 4.3 49.2 1.0
CB A:ASP173 4.3 47.2 1.0
N A:ASP175 4.3 67.4 1.0
N A:LYS176 4.4 62.9 1.0
N A:ILE180 4.4 42.9 1.0
N A:SER181 4.4 47.8 1.0
CA A:ILE180 4.5 43.1 1.0
C A:ASP173 4.6 50.5 1.0
CB A:PHE179 4.6 47.3 1.0
CG A:GLU184 4.6 60.0 1.0
CB A:ASP177 4.6 60.8 1.0
CB A:ASP175 4.7 65.3 1.0
CA A:ASP177 4.8 61.8 1.0
N A:GLY178 4.8 56.6 1.0
CA A:ASP175 4.8 63.2 1.0
C A:ASP175 4.9 58.0 1.0
CA A:LYS176 5.0 56.8 1.0

Calcium binding site 3 out of 5 in 4msp

Go back to Calcium Binding Sites List in 4msp
Calcium binding site 3 out of 5 in the Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca203

b:72.6
occ:1.00
 O A:GLU184 2.4 55.2 1.0
ND1 A:HIS189 2.5 0.3 1.0
O A:TYR187 2.5 74.5 1.0
OE1 A:GLU172 2.6 56.8 1.0
CE1 A:HIS189 3.1 0.9 1.0
C A:GLU184 3.6 54.3 1.0
CG A:HIS189 3.6 0.6 1.0
CD A:GLU172 3.6 58.6 1.0
C A:TYR187 3.7 71.9 1.0
N A:HIS189 3.8 96.2 1.0
OE2 A:GLU172 4.1 66.2 1.0
NH1 A:ARG120 4.2 44.3 1.0
CB A:HIS189 4.2 0.4 1.0
NE2 A:HIS189 4.3 0.7 1.0
CA A:GLU184 4.3 57.3 1.0
OE2 A:GLU174 4.4 91.3 1.0
CA A:LYS188 4.5 72.1 1.0
N A:LYS188 4.6 69.2 1.0
CD2 A:HIS189 4.6 0.8 1.0
C A:LYS188 4.6 88.5 1.0
CA A:HIS189 4.6 0.6 1.0
N A:PHE185 4.6 44.7 1.0
N A:TYR187 4.6 67.3 1.0
CA A:TYR187 4.7 69.6 1.0
CA A:GLU172 4.7 46.0 1.0
O A:GLU172 4.8 51.2 1.0
CB A:GLU184 4.8 54.3 1.0
CA A:PHE185 4.8 49.9 1.0
C A:PHE185 4.8 53.2 1.0
CG A:GLU172 4.8 50.1 1.0
CB A:GLU172 4.9 46.1 1.0
O A:PHE185 4.9 43.8 1.0

Calcium binding site 4 out of 5 in 4msp

Go back to Calcium Binding Sites List in 4msp
Calcium binding site 4 out of 5 in the Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca201

b:26.5
occ:1.00
 OD1 B:ASP129 2.2 23.3 1.0
OD1 B:ASP133 2.3 29.3 1.0
O B:LYS135 2.4 24.7 1.0
OD1 B:ASN131 2.4 25.5 1.0
OE1 B:GLU140 2.4 30.9 1.0
O B:HOH308 2.5 29.2 1.0
OE2 B:GLU140 2.5 25.9 1.0
CD B:GLU140 2.8 33.1 1.0
CG B:ASP133 3.2 30.2 1.0
CG B:ASN131 3.4 26.7 1.0
CG B:ASP129 3.4 22.3 1.0
C B:LYS135 3.6 29.3 1.0
OD2 B:ASP133 3.6 28.8 1.0
ND2 B:ASN131 3.9 30.5 1.0
N B:ASP133 4.2 28.6 1.0
CA B:ASP129 4.2 21.8 1.0
OD2 B:ASP129 4.2 23.4 1.0
N B:ASN131 4.3 33.0 1.0
N B:LYS135 4.3 26.1 1.0
CG B:GLU140 4.3 29.4 1.0
CB B:ASP129 4.3 21.9 1.0
CA B:LEU136 4.3 24.6 1.0
N B:LEU136 4.4 26.6 1.0
CB B:ASP133 4.4 30.1 1.0
C B:ASP129 4.4 24.2 1.0
CA B:LYS135 4.5 28.6 1.0
N B:LEU130 4.6 22.9 1.0
N B:ASP132 4.6 24.2 1.0
N B:SER137 4.6 28.0 1.0
CB B:ASN131 4.6 26.1 1.0
CG B:LYS135 4.7 27.5 1.0
CA B:ASP133 4.7 26.6 1.0
CA B:ASN131 4.7 28.0 1.0
O B:HOH350 4.8 39.8 1.0
C B:ASN131 4.8 31.5 1.0
O B:HOH319 4.8 29.8 1.0
N B:TRP134 4.9 26.5 1.0
C B:LEU136 4.9 29.1 1.0
C B:ASP133 4.9 31.8 1.0

Calcium binding site 5 out of 5 in 4msp

Go back to Calcium Binding Sites List in 4msp
Calcium binding site 5 out of 5 in the Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 (Aka FKBP14) Containing Two Ef-Hand Motifs within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca202

b:32.6
occ:1.00
 O B:HOH428 2.3 40.3 1.0
OD1 B:ASP173 2.3 39.2 1.0
OD1 B:ASP175 2.3 35.1 1.0
O B:PHE179 2.4 31.1 1.0
OE1 B:GLU184 2.4 27.0 1.0
OD1 B:ASP177 2.4 34.9 1.0
OE2 B:GLU184 2.6 32.9 1.0
CD B:GLU184 2.8 29.6 1.0
CG B:ASP175 3.4 44.1 1.0
CG B:ASP173 3.4 35.7 1.0
CG B:ASP177 3.4 33.3 1.0
C B:PHE179 3.5 30.2 1.0
OD2 B:ASP175 3.9 51.2 1.0
OD2 B:ASP177 3.9 36.5 1.0
CA B:ASP173 4.2 30.7 1.0
OD2 B:ASP173 4.2 35.6 1.0
N B:ASP177 4.2 38.1 1.0
N B:PHE179 4.2 35.5 1.0
N B:ASP175 4.2 45.1 1.0
CB B:ASP173 4.3 34.7 1.0
CA B:PHE179 4.3 28.5 1.0
CG B:GLU184 4.3 27.4 1.0
N B:GLU174 4.4 40.5 1.0
C B:ASP173 4.4 37.8 1.0
N B:LYS176 4.4 47.0 1.0
N B:ILE180 4.4 25.2 1.0
N B:SER181 4.4 25.9 1.0
CA B:ILE180 4.4 24.7 1.0
CB B:ASP177 4.5 37.8 1.0
CB B:ASP175 4.6 42.5 1.0
CA B:ASP175 4.7 44.0 1.0
CB B:PHE179 4.7 30.1 1.0
C B:ASP175 4.7 50.0 1.0
CA B:ASP177 4.8 39.5 1.0
C B:ILE180 4.9 27.0 1.0
N B:GLY178 5.0 38.4 1.0

Reference:

S.P.Boudko, Y.Ishikawa, J.Nix, M.S.Chapman, H.P.Bachinger. Structure of Human Peptidyl-Prolyl Cis-Trans Isomerase FKBP22 Containing Two Ef-Hand Motifs. Protein Sci. V. 23 67 2014.
ISSN: ISSN 0961-8368
PubMed: 24272907
DOI: 10.1002/PRO.2391
Page generated: Sat Dec 12 04:59:18 2020

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