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Magnesium in PDB 3loo: Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate

Enzymatic activity of Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate

All present enzymatic activity of Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate:
2.7.1.20;

Protein crystallography data

The structure of Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate, PDB code: 3loo was solved by M.-C.Ho, M.B.Cassera, S.C.Almo, V.L.Schramm, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.381, 76.813, 140.515, 90.00, 92.12, 90.00
R / Rfree (%) 19.8 / 24.8

Other elements in 3loo:

The structure of Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate (pdb code 3loo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate, PDB code: 3loo:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3loo

Go back to Magnesium Binding Sites List in 3loo
Magnesium binding site 1 out of 3 in the Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg350

b:28.6
occ:1.00
 O2B A:B4P349 2.0 32.1 1.0
O A:HOH354 2.1 21.8 1.0
O A:HOH352 2.1 23.7 1.0
O2G A:B4P349 2.1 27.2 1.0
O A:HOH353 2.1 26.3 1.0
O A:HOH355 2.2 21.5 1.0
PB A:B4P349 3.1 39.3 1.0
PG A:B4P349 3.3 26.5 1.0
O3B A:B4P349 3.6 32.9 1.0
O A:HOH376 4.0 26.5 1.0
O A:HOH388 4.0 25.7 1.0
O1B A:B4P349 4.0 34.7 1.0
O1G A:B4P349 4.0 28.0 1.0
O A:SER196 4.0 22.9 1.0
OE2 A:GLU224 4.1 33.8 1.0
O A:HOH366 4.2 23.7 1.0
OE1 A:GLU224 4.3 26.3 1.0
O3A A:B4P349 4.4 37.1 1.0
OD1 A:ASP300 4.4 25.9 1.0
OD1 A:ASN194 4.5 21.2 1.0
O3G A:B4P349 4.6 30.3 1.0
CD A:GLU224 4.6 29.5 1.0
ND2 A:ASN221 4.6 28.6 1.0
CA A:GLY299 4.7 26.8 1.0
O A:HOH363 4.7 20.1 1.0
C A:SER196 4.8 22.6 1.0
CA A:SER196 4.9 22.0 1.0
O A:HOH396 4.9 27.4 1.0

Magnesium binding site 2 out of 3 in 3loo

Go back to Magnesium Binding Sites List in 3loo
Magnesium binding site 2 out of 3 in the Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg350

b:37.9
occ:1.00
 O2B B:B4P349 1.7 45.0 1.0
O B:HOH355 2.0 30.5 1.0
O B:HOH354 2.2 32.0 1.0
O B:HOH352 2.2 28.1 1.0
O B:HOH353 2.2 32.5 1.0
O2G B:B4P349 2.3 38.5 1.0
PB B:B4P349 2.9 49.8 1.0
PG B:B4P349 3.3 42.3 1.0
O3B B:B4P349 3.5 44.4 1.0
O B:HOH357 3.9 30.8 1.0
O1B B:B4P349 3.9 44.9 1.0
O B:SER196 4.0 32.2 1.0
OD1 B:ASP300 4.1 32.3 1.0
O1G B:B4P349 4.1 37.9 1.0
O3A B:B4P349 4.1 50.8 1.0
OE2 B:GLU224 4.2 36.0 1.0
O B:HOH406 4.2 33.0 1.0
O B:HOH358 4.2 29.6 1.0
OE1 B:GLU224 4.4 34.0 1.0
O B:HOH363 4.4 29.4 1.0
OD1 B:ASN194 4.4 29.0 1.0
O B:HOH386 4.6 39.2 1.0
O3G B:B4P349 4.7 42.4 1.0
CD B:GLU224 4.7 36.3 1.0
CA B:GLY299 4.7 31.5 1.0
C B:SER196 4.8 32.9 1.0
O5E B:B4P349 4.8 51.2 1.0
CA B:SER196 4.9 33.3 1.0
ND2 B:ASN221 5.0 32.4 1.0
C B:GLY299 5.0 31.3 1.0

Magnesium binding site 3 out of 3 in 3loo

Go back to Magnesium Binding Sites List in 3loo
Magnesium binding site 3 out of 3 in the Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Anopheles Gambiae Adenosine Kinase in Complex with P1,P4-Di(Adenosine-5) Tetraphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg350

b:35.2
occ:1.00
 O C:HOH352 1.9 32.2 1.0
O C:HOH353 2.1 32.7 1.0
O2B C:B4P349 2.1 42.1 1.0
O C:HOH354 2.1 34.0 1.0
O C:HOH355 2.2 31.5 1.0
O2G C:B4P349 2.2 43.3 1.0
PB C:B4P349 3.3 47.1 1.0
PG C:B4P349 3.4 43.6 1.0
O3B C:B4P349 3.7 43.2 1.0
O C:HOH357 3.9 29.6 1.0
O C:HOH411 4.0 36.1 1.0
O C:HOH356 4.0 30.7 1.0
O C:SER196 4.1 26.9 1.0
O1B C:B4P349 4.1 42.1 1.0
OE2 C:GLU224 4.2 35.2 1.0
O1G C:B4P349 4.2 39.9 1.0
OD1 C:ASP300 4.2 34.2 1.0
OD1 C:ASN194 4.3 29.2 1.0
O C:HOH363 4.4 31.8 1.0
OE1 C:GLU224 4.5 34.6 1.0
O3G C:B4P349 4.5 46.5 1.0
O3A C:B4P349 4.6 48.9 1.0
CA C:GLY299 4.7 36.6 1.0
CD C:GLU224 4.8 33.6 1.0
C C:SER196 4.8 27.5 1.0
CA C:SER196 4.9 27.4 1.0
ND2 C:ASN221 4.9 35.4 1.0
C C:GLY299 5.0 35.5 1.0

Reference:

M.B.Cassera, M.C.Ho, E.F.Merino, E.S.Burgos, A.Rinaldo-Matthis, S.C.Almo, V.L.Schramm. A High-Affinity Adenosine Kinase From Anopheles Gambiae. Biochemistry V. 50 1885 2011.
ISSN: ISSN 0006-2960
PubMed: 21247194
DOI: 10.1021/BI101921W
Page generated: Wed Aug 14 18:36:24 2024

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