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Calcium in PDB 3b9x: Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine

Enzymatic activity of Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine

All present enzymatic activity of Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine:
3.2.2.8;

Protein crystallography data

The structure of Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine, PDB code: 3b9x was solved by E.Iovane, M.Degano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 81.92 / 2.30
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 45.112, 82.406, 90.163, 67.90, 79.59, 89.65
R / Rfree (%) 20.1 / 25.5

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine (pdb code 3b9x). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine, PDB code: 3b9x:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 3b9x

Go back to Calcium Binding Sites List in 3b9x
Calcium binding site 1 out of 4 in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine


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 the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca400

b:15.6
occ:1.00
O2' A:NOS401 2.2 32.4 1.0
O3' A:NOS401 2.3 20.0 1.0
O A:VAL124 2.4 10.1 1.0
OD1 A:ASP16 2.4 10.4 1.0
OD1 A:ASP11 2.5 22.4 1.0
OD2 A:ASP240 2.6 19.0 1.0
O A:HOH502 2.7 26.0 1.0
OD2 A:ASP16 2.8 13.9 1.0
CG A:ASP16 2.9 20.9 1.0
C2' A:NOS401 3.1 29.4 1.0
C3' A:NOS401 3.1 31.8 1.0
CG A:ASP240 3.5 23.1 1.0
C A:VAL124 3.5 15.9 1.0
CG A:ASP11 3.6 21.2 1.0
OD1 A:ASN40 3.7 25.1 1.0
OD1 A:ASP240 3.8 20.9 1.0
OD2 A:ASP11 3.9 21.2 1.0
CA A:GLY125 4.2 15.7 1.0
C1' A:NOS401 4.2 32.9 1.0
C4' A:NOS401 4.2 28.9 1.0
N A:GLY125 4.2 16.0 1.0
CG2 A:VAL124 4.3 8.5 1.0
CB A:ASP16 4.4 13.5 1.0
O4' A:NOS401 4.4 31.4 1.0
ND2 A:ASN166 4.5 8.8 1.0
CB A:VAL124 4.6 12.4 1.0
OD1 A:ASN166 4.6 15.5 1.0
N A:ASP11 4.6 15.4 1.0
CA A:VAL124 4.7 13.1 1.0
O A:ASP11 4.7 15.5 1.0
OD1 A:ASP15 4.7 24.8 1.0
CG A:ASN40 4.7 24.8 1.0
OD2 A:ASP15 4.8 28.7 1.0
N A:ASP16 4.8 16.6 1.0
CB A:ASP240 4.8 19.1 1.0
CB A:ASP11 4.9 16.1 1.0
CA A:ASP16 4.9 13.9 1.0
C A:ASP11 5.0 16.5 1.0

Calcium binding site 2 out of 4 in 3b9x

Go back to Calcium Binding Sites List in 3b9x
Calcium binding site 2 out of 4 in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine


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 the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca400

b:17.9
occ:1.00
O B:VAL124 2.4 9.9 1.0
OD1 B:ASP11 2.4 22.9 1.0
O2' B:NOS401 2.4 26.3 1.0
OD1 B:ASP16 2.5 11.3 1.0
O B:HOH404 2.6 10.7 1.0
OD2 B:ASP240 2.6 19.2 1.0
O3' B:NOS401 2.7 12.0 1.0
OD2 B:ASP16 2.8 13.7 1.0
CG B:ASP16 2.9 20.8 1.0
C2' B:NOS401 3.4 28.5 1.0
CG B:ASP11 3.4 20.9 1.0
C B:VAL124 3.5 15.8 1.0
C3' B:NOS401 3.6 25.8 1.0
OD1 B:ASN40 3.6 24.7 1.0
CG B:ASP240 3.7 23.4 1.0
OD2 B:ASP11 3.7 21.5 1.0
OD1 B:ASP240 4.0 20.6 1.0
CA B:GLY125 4.1 15.8 1.0
C1' B:NOS401 4.1 31.6 1.0
N B:GLY125 4.2 15.7 1.0
CG2 B:VAL124 4.4 8.5 1.0
CB B:ASP16 4.4 13.6 1.0
ND2 B:ASN166 4.4 8.5 1.0
OD1 B:ASN166 4.5 15.3 1.0
C4' B:NOS401 4.5 26.4 1.0
N B:ASP11 4.6 15.9 1.0
CG B:ASN40 4.6 25.0 1.0
O4' B:NOS401 4.6 25.8 1.0
CB B:VAL124 4.6 11.9 1.0
CA B:VAL124 4.7 13.5 1.0
O B:ASP11 4.7 16.5 1.0
CB B:ASP11 4.8 16.2 1.0
OD2 B:ASP15 4.8 29.4 1.0
N B:ASP16 4.9 16.5 1.0
OD1 B:ASP15 4.9 25.2 1.0
CG B:ASN166 4.9 14.5 1.0
C B:ASP11 4.9 16.3 1.0
CB B:ASP240 5.0 19.4 1.0
CA B:ASP16 5.0 13.6 1.0

Calcium binding site 3 out of 4 in 3b9x

Go back to Calcium Binding Sites List in 3b9x
Calcium binding site 3 out of 4 in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine


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 the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca400

b:17.6
occ:1.00
O C:HOH433 2.4 18.4 1.0
OD1 C:ASP11 2.5 23.4 1.0
O C:VAL124 2.6 11.0 1.0
OD2 C:ASP16 2.6 13.7 1.0
O2' C:NOS401 2.6 39.4 1.0
OD1 C:ASP16 2.6 11.5 1.0
OD2 C:ASP240 2.7 19.5 1.0
O3' C:NOS401 2.9 36.4 1.0
CG C:ASP16 2.9 20.9 1.0
CG C:ASP11 3.5 21.5 1.0
OD1 C:ASN40 3.5 24.6 1.0
C2' C:NOS401 3.7 40.6 1.0
CG C:ASP240 3.7 23.2 1.0
C C:VAL124 3.7 15.3 1.0
OD2 C:ASP11 3.7 21.7 1.0
C3' C:NOS401 3.8 41.1 1.0
OD1 C:ASP240 4.0 21.0 1.0
CA C:GLY125 4.3 15.6 1.0
C1' C:NOS401 4.4 41.9 1.0
N C:GLY125 4.4 15.6 1.0
CB C:ASP16 4.4 13.8 1.0
OD1 C:ASN166 4.5 15.7 1.0
C4' C:NOS401 4.5 36.7 1.0
CG C:ASN40 4.5 25.0 1.0
ND2 C:ASN166 4.5 8.7 1.0
CG2 C:VAL124 4.6 8.4 1.0
O C:ASP11 4.7 16.5 1.0
N C:ASP11 4.7 15.8 1.0
O4' C:NOS401 4.7 43.6 1.0
OD1 C:ASP15 4.8 25.3 1.0
OD2 C:ASP15 4.8 29.5 1.0
CB C:ASP11 4.8 16.0 1.0
CB C:VAL124 4.9 12.0 1.0
CA C:VAL124 4.9 13.4 1.0
ND2 C:ASN40 4.9 21.1 1.0
N C:ASP16 4.9 16.9 1.0
CG C:ASN166 4.9 14.8 1.0
C C:ASP11 5.0 16.7 1.0

Calcium binding site 4 out of 4 in 3b9x

Go back to Calcium Binding Sites List in 3b9x
Calcium binding site 4 out of 4 in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine


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 the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca400

b:17.2
occ:1.00
O2' D:NOS401 2.3 24.2 1.0
OD1 D:ASP16 2.4 10.8 1.0
O D:VAL124 2.4 10.5 1.0
OD2 D:ASP240 2.5 19.1 1.0
OD1 D:ASP11 2.5 23.5 1.0
OD2 D:ASP16 2.6 13.6 1.0
O3' D:NOS401 2.7 19.6 1.0
O D:HOH417 2.7 16.9 1.0
CG D:ASP16 2.8 20.7 1.0
C2' D:NOS401 3.4 25.5 1.0
CG D:ASP240 3.5 23.2 1.0
CG D:ASP11 3.5 21.2 1.0
C D:VAL124 3.6 15.9 1.0
C3' D:NOS401 3.6 26.6 1.0
OD1 D:ASN40 3.7 24.7 1.0
OD1 D:ASP240 3.9 20.7 1.0
OD2 D:ASP11 3.9 21.5 1.0
C1' D:NOS401 4.1 35.9 1.0
CA D:GLY125 4.2 15.8 1.0
N D:GLY125 4.2 15.8 1.0
CB D:ASP16 4.2 13.6 1.0
CG2 D:VAL124 4.5 8.4 1.0
O4' D:NOS401 4.5 37.8 1.0
N D:ASP11 4.5 15.5 1.0
ND2 D:ASN166 4.6 8.9 1.0
OD1 D:ASN166 4.6 15.4 1.0
C4' D:NOS401 4.6 30.7 1.0
CB D:VAL124 4.6 11.9 1.0
CG D:ASN40 4.7 24.7 1.0
CA D:VAL124 4.7 13.2 1.0
N D:ASP16 4.7 16.6 1.0
O D:ASP11 4.8 16.3 1.0
OD2 D:ASP15 4.8 29.4 1.0
CB D:ASP240 4.8 19.2 1.0
CA D:ASP16 4.9 13.9 1.0
CB D:ASP11 4.9 15.9 1.0
C D:ASP11 4.9 16.7 1.0
OD1 D:ASP15 5.0 25.3 1.0

Reference:

E.Iovane, B.Giabbai, L.Muzzolini, V.Matafora, A.Fornili, C.Minici, F.Giannese, M.Degano. Structural Basis For Substrate Specificity in Group I Nucleoside Hydrolases Biochemistry V. 47 4418 2008.
ISSN: ISSN 0006-2960
PubMed: 18361502
DOI: 10.1021/BI702448S
Page generated: Sat Dec 12 04:05:47 2020

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