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Iron in PDB 5uq6: Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion

Enzymatic activity of Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion

All present enzymatic activity of Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion:
3.1.3.2;

Protein crystallography data

The structure of Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion, PDB code: 5uq6 was solved by C.Selleck, L.Guddat, G.Schenk, D.Clayton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.60 / 1.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.124, 69.981, 75.052, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 15.6

Other elements in 5uq6:

The structure of Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion (pdb code 5uq6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion, PDB code: 5uq6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5uq6

Go back to Iron Binding Sites List in 5uq6
Iron binding site 1 out of 2 in the Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:10.3
occ:0.91
 HO A:OH406 1.8 20.0 1.0
OH A:TYR55 1.9 10.6 1.0
OD2 A:ASP14 2.0 10.2 1.0
O A:OH406 2.1 20.0 1.0
NE2 A:HIS223 2.2 10.8 1.0
O1 A:PO4404 2.2 12.1 0.7
OD2 A:ASP52 2.3 9.9 1.0
HB3 A:ASP14 2.9 11.2 1.0
HE1 A:TYR55 3.0 14.3 1.0
CZ A:TYR55 3.0 9.6 1.0
CG A:ASP14 3.1 10.2 1.0
CE1 A:HIS223 3.1 11.1 1.0
HE1 A:HIS223 3.2 13.3 1.0
CD2 A:HIS223 3.2 10.3 1.0
CG A:ASP52 3.3 9.4 1.0
HB2 A:ASP52 3.3 11.8 1.0
P A:PO4404 3.3 13.0 0.7
HB3 A:ASP52 3.4 11.8 1.0
FE A:FE403 3.4 10.1 1.0
CE1 A:TYR55 3.4 11.9 1.0
HD2 A:HIS223 3.4 12.3 1.0
CB A:ASP14 3.5 9.4 1.0
CB A:ASP52 3.5 9.8 1.0
HA A:HIS221 3.7 10.2 1.0
HE1 A:HIS186 3.7 9.5 1.0
O4 A:PO4404 3.7 12.2 0.7
O4 A:PO4404 3.8 16.1 0.3
O2 A:PO4404 3.8 12.9 0.7
HD2 A:HIS92 3.9 13.1 1.0
HA A:ASP14 4.0 10.8 1.0
O1 A:PO4404 4.0 16.1 0.3
O A:HIS221 4.1 11.7 1.0
OD1 A:ASP14 4.2 10.1 1.0
HB2 A:ASP14 4.2 11.2 1.0
CE2 A:TYR55 4.2 11.4 1.0
ND1 A:HIS223 4.2 11.7 1.0
HD2 A:PHE244 4.3 15.3 1.0
CE1 A:HIS186 4.3 7.9 1.0
CA A:ASP14 4.3 9.0 1.0
CG A:HIS223 4.4 10.7 1.0
P A:PO4404 4.4 16.2 0.3
NE2 A:HIS186 4.4 9.4 1.0
OD1 A:ASP52 4.4 10.0 1.0
HE2 A:TYR55 4.4 13.7 1.0
O3 A:PO4404 4.5 16.5 0.3
CA A:HIS221 4.5 8.5 1.0
H A:HIS221 4.6 10.8 1.0
O3 A:PO4404 4.6 14.1 0.7
O A:HOH684 4.7 49.3 1.0
CD2 A:HIS92 4.7 10.9 1.0
C A:HIS221 4.7 9.5 1.0
HE2 A:PHE244 4.8 17.9 1.0
CD1 A:TYR55 4.8 10.2 1.0
HE2 A:HIS92 4.9 13.9 1.0

Iron binding site 2 out of 2 in 5uq6

Go back to Iron Binding Sites List in 5uq6
Iron binding site 2 out of 2 in the Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Pig Purple Acid Phosphatase Complexed with Phosphate in Two Coordination Modes Along with A Bridging Hydroxide Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:10.1
occ:1.00
 O A:OH406 2.1 20.0 1.0
O4 A:PO4404 2.1 12.2 0.7
OD1 A:ASN91 2.1 9.9 1.0
NE2 A:HIS186 2.2 9.4 1.0
OD2 A:ASP52 2.2 9.9 1.0
ND1 A:HIS221 2.2 10.1 1.0
O4 A:PO4404 2.3 16.1 0.3
HO A:OH406 2.6 20.0 1.0
HA A:HIS221 3.0 10.2 1.0
CE1 A:HIS221 3.1 9.7 1.0
HD21 A:ASN91 3.1 15.1 1.0
HE1 A:HIS221 3.1 11.6 1.0
CG A:ASN91 3.1 10.7 1.0
CG A:ASP52 3.2 9.4 1.0
CE1 A:HIS186 3.2 7.9 1.0
CD2 A:HIS186 3.2 8.4 1.0
P A:PO4404 3.3 13.0 0.7
HD2 A:HIS186 3.3 10.1 1.0
HE1 A:HIS186 3.3 9.5 1.0
CG A:HIS221 3.4 9.8 1.0
FE A:FE402 3.4 10.3 0.9
ND2 A:ASN91 3.5 12.5 1.0
OD1 A:ASP52 3.5 10.0 1.0
O1 A:PO4404 3.5 12.1 0.7
HD2 A:HIS92 3.6 13.1 1.0
P A:PO4404 3.7 16.2 0.3
H A:ASN91 3.7 10.6 1.0
HB2 A:HIS221 3.8 10.8 1.0
OD2 A:ASP14 3.8 10.2 1.0
CA A:HIS221 3.8 8.5 1.0
CB A:HIS221 3.9 9.0 1.0
O2 A:PO4404 3.9 12.9 0.7
O1 A:PO4404 3.9 16.1 0.3
O A:HIS221 4.2 11.7 1.0
NE2 A:HIS221 4.3 9.9 1.0
ND1 A:HIS186 4.3 9.1 1.0
HE1 A:TYR187 4.3 11.6 1.0
HD22 A:ASN91 4.3 15.1 1.0
CG A:HIS186 4.3 8.2 1.0
HB2 A:ASP52 4.4 11.8 1.0
CD2 A:HIS92 4.4 10.9 1.0
CD2 A:HIS221 4.4 9.4 1.0
CB A:ASP52 4.4 9.8 1.0
H A:HIS92 4.4 11.0 1.0
N A:ASN91 4.5 8.8 1.0
CB A:ASN91 4.5 10.7 1.0
O3 A:PO4404 4.5 14.1 0.7
C A:HIS221 4.5 9.5 1.0
O2 A:PO4404 4.6 16.5 0.3
HE2 A:HIS195 4.6 16.5 1.0
O3 A:PO4404 4.6 16.5 0.3
HA3 A:GLY90 4.7 10.6 1.0
HD1 A:TYR187 4.7 11.7 1.0
HG A:SER145 4.7 15.9 1.0
HB3 A:ASN91 4.7 12.8 1.0
HE2 A:HIS92 4.7 13.9 1.0
H A:HIS221 4.8 10.8 1.0
HB3 A:HIS221 4.8 10.8 1.0
HE1 A:TYR55 4.8 14.3 1.0
N A:HIS221 4.9 9.0 1.0
HB3 A:ASP52 4.9 11.8 1.0
NE2 A:HIS92 5.0 11.6 1.0
OH A:TYR55 5.0 10.6 1.0
NE2 A:HIS223 5.0 10.8 1.0
HE2 A:HIS221 5.0 11.8 1.0
CG A:ASP14 5.0 10.2 1.0

Reference:

C.Selleck, D.Clayton, L.R.Gahan, N.Mitic, R.P.Mcgeary, M.M.Pedroso, L.W.Guddat, G.Schenk. Visualization of the Reaction Trajectory and Transition State in A Hydrolytic Reaction Catalyzed By A Metalloenzyme. Chemistry V. 23 4778 2017.
ISSN: ISSN 1521-3765
PubMed: 28261912
DOI: 10.1002/CHEM.201700866
Page generated: Tue Aug 6 09:59:53 2024

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