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Chlorine 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:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3loo

Go back to Chlorine Binding Sites List in 3loo
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl351

b:22.3
occ:1.00
 OG A:SER166 3.0 21.0 1.0
O A:HOH369 3.2 19.8 1.0
N A:ASN14 3.3 20.5 1.0
N A:VAL66 3.4 19.3 1.0
C2A A:B4P349 3.4 23.1 1.0
N A:SER65 3.6 22.6 1.0
CB A:SER65 3.6 21.6 1.0
CG2 A:VAL66 3.7 17.9 1.0
CB A:SER166 3.7 18.8 1.0
CA A:GLY13 3.8 22.7 1.0
CA A:SER65 4.0 21.8 1.0
CB A:VAL66 4.0 19.8 1.0
N3A A:B4P349 4.0 21.2 1.0
O A:ASN14 4.0 20.3 1.0
C A:GLY13 4.1 22.2 1.0
CB A:PHE168 4.1 21.2 1.0
C A:SER65 4.2 20.4 1.0
CA A:ASN14 4.2 21.4 1.0
CA A:VAL66 4.3 20.0 1.0
CB A:ASN14 4.3 21.1 1.0
N1A A:B4P349 4.3 21.1 1.0
CD2 A:PHE168 4.3 19.7 1.0
C A:GLY64 4.3 24.1 1.0
CG A:ASN14 4.5 25.6 1.0
ND2 A:ASN14 4.5 20.6 1.0
C A:ASN14 4.5 21.1 1.0
OG A:SER65 4.7 26.3 1.0
CA A:GLY64 4.7 24.5 1.0
CG A:PHE168 4.7 21.3 1.0

Chlorine binding site 2 out of 3 in 3loo

Go back to Chlorine Binding Sites List in 3loo
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl351

b:30.3
occ:1.00
 OG B:SER166 3.1 31.3 1.0
O B:HOH360 3.1 26.7 1.0
N B:VAL66 3.2 29.3 1.0
N B:ASN14 3.2 31.7 1.0
C2A B:B4P349 3.4 29.4 1.0
N B:SER65 3.5 29.6 1.0
CG2 B:VAL66 3.6 29.9 1.0
CA B:GLY13 3.6 32.0 1.0
CB B:SER166 3.6 30.7 1.0
CB B:SER65 3.7 29.6 1.0
CB B:VAL66 3.8 29.2 1.0
CA B:SER65 3.9 29.4 1.0
C B:GLY13 4.0 32.3 1.0
N3A B:B4P349 4.1 30.6 1.0
C B:SER65 4.1 29.4 1.0
CA B:VAL66 4.1 29.5 1.0
O B:ASN14 4.2 31.5 1.0
CA B:ASN14 4.2 32.0 1.0
CB B:ASN14 4.3 32.0 1.0
CB B:PHE168 4.3 30.8 1.0
N1A B:B4P349 4.3 32.0 1.0
C B:GLY64 4.4 29.4 1.0
CD2 B:PHE168 4.4 29.7 1.0
CG B:ASN14 4.5 32.6 1.0
C B:ASN14 4.6 32.1 1.0
ND2 B:ASN14 4.6 34.2 1.0
OG B:SER65 4.8 31.1 1.0
CA B:GLY64 4.9 30.2 1.0
CG B:PHE168 4.9 30.6 1.0
O B:LEU12 5.0 32.1 1.0
N B:GLY13 5.0 32.3 1.0

Chlorine binding site 3 out of 3 in 3loo

Go back to Chlorine Binding Sites List in 3loo
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl351

b:30.1
occ:1.00
 OG C:SER166 3.0 29.5 1.0
O C:HOH360 3.1 27.7 1.0
N C:ASN14 3.3 27.2 1.0
N C:VAL66 3.4 31.4 1.0
C2A C:B4P349 3.5 30.6 1.0
N C:SER65 3.6 33.0 1.0
CA C:GLY13 3.7 28.8 1.0
CB C:SER166 3.7 28.5 1.0
CG2 C:VAL66 3.7 28.0 1.0
CB C:SER65 3.9 33.0 1.0
CB C:VAL66 3.9 31.4 1.0
O C:ASN14 4.0 27.8 1.0
C C:GLY13 4.0 28.6 1.0
CA C:SER65 4.0 32.7 1.0
N3A C:B4P349 4.1 28.9 1.0
C C:SER65 4.2 32.3 1.0
CB C:PHE168 4.2 28.4 1.0
CA C:VAL66 4.2 30.3 1.0
CA C:ASN14 4.3 27.5 1.0
CD2 C:PHE168 4.3 27.6 1.0
C C:GLY64 4.3 32.9 1.0
CB C:ASN14 4.3 26.3 1.0
N1A C:B4P349 4.4 28.7 1.0
C C:ASN14 4.5 27.4 1.0
CG C:ASN14 4.5 27.2 1.0
ND2 C:ASN14 4.6 25.7 1.0
CA C:GLY64 4.7 32.6 1.0
OG C:SER65 4.8 34.5 1.0
CG C:PHE168 4.8 29.0 1.0
O C:LEU12 5.0 31.2 1.0
N C:GLY13 5.0 30.1 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: Fri Jul 11 07:31:24 2025

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