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Calcium in PDB 1qal: The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants

Enzymatic activity of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants

All present enzymatic activity of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants:
1.4.3.4;

Protein crystallography data

The structure of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants, PDB code: 1qal was solved by J.M.Murray, C.M.Wilmot, C.G.Saysell, J.Jaeger, P.F.Knowles, S.E.Phillips, M.J.Mcpherson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 135.050, 166.520, 79.320, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 24.1

Other elements in 1qal:

The structure of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants also contains other interesting chemical elements:

Copper (Cu) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants (pdb code 1qal). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants, PDB code: 1qal:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 1qal

Go back to Calcium Binding Sites List in 1qal
Calcium binding site 1 out of 4 in the The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca802

b:25.4
occ:1.00
 O A:ALA679 2.3 17.0 1.0
OD1 A:ASP533 2.4 18.9 1.0
OD1 A:ASP535 2.4 17.5 1.0
OD1 A:ASP678 2.4 21.9 1.0
O A:LEU534 2.5 19.9 1.0
O A:HOH940 2.7 19.0 1.0
C A:LEU534 3.4 20.9 1.0
C A:ALA679 3.4 16.7 1.0
CG A:ASP535 3.5 18.7 1.0
NZ A:LYS133 3.6 19.4 1.0
CG A:ASP533 3.6 17.3 1.0
CG A:ASP678 3.6 22.6 1.0
N A:ALA679 3.7 21.2 1.0
C A:ASP533 3.9 22.3 1.0
N A:LEU534 4.0 21.2 1.0
N A:ASP535 4.0 20.9 1.0
CA A:ASP535 4.0 17.4 1.0
O A:ASP533 4.1 17.8 1.0
CA A:ALA679 4.2 19.3 1.0
C A:ASP678 4.2 21.5 1.0
OD2 A:ASP678 4.2 24.5 1.0
OD2 A:ASP533 4.3 18.6 1.0
CA A:LEU534 4.3 23.8 1.0
CA A:ASP533 4.3 17.5 1.0
CB A:ASP535 4.4 19.4 1.0
N A:VAL680 4.4 17.7 1.0
OD2 A:ASP535 4.5 20.3 1.0
CA A:ASP678 4.5 21.3 1.0
CB A:ASP533 4.6 16.0 1.0
O A:GLU539 4.7 19.2 1.0
CB A:ASP678 4.7 19.2 1.0
CA A:VAL680 4.8 20.4 1.0
ND2 A:ASN541 4.9 16.1 1.0
CE A:LYS133 4.9 20.4 1.0
CG2 A:VAL680 4.9 18.0 1.0
O A:ASP678 4.9 19.1 1.0
CB A:ALA679 4.9 14.9 1.0

Calcium binding site 2 out of 4 in 1qal

Go back to Calcium Binding Sites List in 1qal
Calcium binding site 2 out of 4 in the The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca803

b:47.1
occ:1.00
 O A:TYR667 2.4 20.6 1.0
OE2 A:GLU573 2.6 22.0 1.0
OE1 A:GLU672 2.6 34.0 1.0
O A:HOH1601 2.6 28.6 1.0
O A:HOH1096 2.7 30.6 1.0
OE1 A:GLU573 2.9 23.7 1.0
OD2 A:ASP670 2.9 51.2 1.0
OD1 A:ASP670 3.1 54.5 1.0
CD A:GLU573 3.1 24.9 1.0
CG A:ASP670 3.4 52.8 1.0
C A:TYR667 3.6 23.4 1.0
CD A:GLU672 3.7 40.1 1.0
CE1 A:HIS644 3.9 43.3 1.0
CG A:GLU672 4.1 38.4 1.0
O A:HOH1023 4.2 71.9 1.0
ND1 A:HIS644 4.2 46.8 1.0
CB A:ARG642 4.4 36.8 1.0
OE1 A:GLU647 4.4 29.2 1.0
CA A:TYR667 4.5 26.0 1.0
N A:SER668 4.5 28.1 1.0
CB A:GLU672 4.5 33.8 1.0
CA A:SER668 4.5 26.5 1.0
N A:ARG642 4.6 25.5 1.0
CG A:GLU573 4.6 20.1 1.0
OE2 A:GLU672 4.7 42.0 1.0
CB A:THR641 4.7 26.7 1.0
OE2 A:GLU647 4.8 37.3 1.0
O A:ARG642 4.8 24.6 1.0
CB A:ASP670 5.0 44.8 1.0

Calcium binding site 3 out of 4 in 1qal

Go back to Calcium Binding Sites List in 1qal
Calcium binding site 3 out of 4 in the The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca802

b:26.0
occ:1.00
 O B:ALA679 2.3 27.7 1.0
OD1 B:ASP533 2.3 18.3 1.0
OD1 B:ASP535 2.4 21.8 1.0
O B:LEU534 2.4 24.1 1.0
OD1 B:ASP678 2.5 21.6 1.0
O B:HOH980 2.6 24.4 1.0
C B:LEU534 3.4 25.8 1.0
C B:ALA679 3.4 26.6 1.0
CG B:ASP533 3.6 21.9 1.0
CG B:ASP535 3.6 21.5 1.0
N B:ALA679 3.6 25.6 1.0
NZ B:LYS133 3.7 23.8 1.0
CG B:ASP678 3.7 28.4 1.0
N B:LEU534 4.0 24.8 1.0
C B:ASP533 4.0 22.0 1.0
C B:ASP678 4.1 26.0 1.0
CA B:ALA679 4.1 23.5 1.0
N B:ASP535 4.1 25.9 1.0
CA B:ASP535 4.2 21.4 1.0
OD2 B:ASP533 4.3 19.4 1.0
CA B:ASP533 4.4 24.2 1.0
CA B:ASP678 4.4 29.1 1.0
OD2 B:ASP535 4.4 23.8 1.0
O B:ASP533 4.4 23.8 1.0
CA B:LEU534 4.4 24.8 1.0
OD2 B:ASP678 4.4 23.9 1.0
N B:VAL680 4.5 25.1 1.0
CB B:ASP535 4.5 18.9 1.0
O B:GLU539 4.5 27.2 1.0
CB B:ASP533 4.6 19.7 1.0
CB B:ASP678 4.7 23.7 1.0
ND2 B:ASN541 4.7 31.3 1.0
CA B:VAL680 4.7 24.6 1.0
CB B:ALA679 4.8 22.5 1.0
CG2 B:VAL680 4.8 22.2 1.0
O B:ASP678 4.8 31.5 1.0

Calcium binding site 4 out of 4 in 1qal

Go back to Calcium Binding Sites List in 1qal
Calcium binding site 4 out of 4 in the The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographic Studies with Mutational Variants within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca803

b:45.5
occ:1.00
 O B:TYR667 2.3 25.7 1.0
OE2 B:GLU573 2.5 23.9 1.0
O B:HOH1007 2.6 33.1 1.0
OE2 B:GLU672 2.6 45.6 1.0
O B:HOH1003 2.6 31.0 1.0
OE1 B:GLU573 2.7 29.9 1.0
O B:HOH1055 2.8 42.9 1.0
CD B:GLU573 2.9 29.0 1.0
C B:TYR667 3.5 23.1 1.0
CD B:GLU672 3.6 47.0 1.0
CG B:GLU672 3.8 40.9 1.0
CD2 B:HIS644 4.3 48.0 1.0
NE2 B:HIS644 4.3 46.0 1.0
OE1 B:GLU647 4.3 33.9 1.0
CA B:TYR667 4.4 25.9 1.0
CA B:SER668 4.4 31.1 1.0
N B:SER668 4.4 27.1 1.0
CG B:GLU573 4.5 30.5 1.0
N B:ARG642 4.5 29.2 1.0
CB B:GLU672 4.5 37.5 1.0
O B:HOH1125 4.6 54.8 1.0
OE1 B:GLU672 4.7 50.3 1.0
CB B:THR641 4.7 22.8 1.0
OE2 B:GLU647 4.7 33.3 1.0
CB B:ARG642 4.8 36.7 1.0
CB B:TYR667 4.9 24.5 1.0
O B:ARG642 4.9 32.0 1.0

Reference:

J.M.Murray, C.G.Saysell, C.M.Wilmot, W.S.Tambyrajah, J.Jaeger, P.F.Knowles, S.E.Phillips, M.J.Mcpherson. The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase: X-Ray Crystallographic Studies with Mutational Variants. Biochemistry V. 38 8217 1999.
ISSN: ISSN 0006-2960
PubMed: 10387067
DOI: 10.1021/BI9900469
Page generated: Thu Jul 11 14:22:06 2024

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