Calcium in PDB 6d72: Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions.

Protein crystallography data

The structure of Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions., PDB code: 6d72 was solved by E.V.Filippova, G.Minasov, O.Kiryukhina, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.17
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.761, 120.804, 123.330, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 21.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions. (pdb code 6d72). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions., PDB code: 6d72:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 6d72

Go back to Calcium Binding Sites List in 6d72
Calcium binding site 1 out of 3 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions.


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 Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca201

b:71.3
occ:1.00
OE2 B:GLU35 2.2 49.6 1.0
OE1 A:GLU76 2.2 56.5 1.0
OE1 A:GLU35 2.2 43.6 1.0
O B:HOH343 2.4 59.8 1.0
O A:HOH321 2.4 63.9 1.0
CA A:CA202 2.8 69.6 1.0
CD A:GLU76 3.0 53.9 1.0
CD A:GLU35 3.0 45.9 1.0
CD B:GLU35 3.1 47.3 1.0
OE2 A:GLU76 3.1 54.6 1.0
OE2 A:GLU35 3.2 50.3 1.0
OE1 B:GLU35 3.3 48.8 1.0
OE2 B:GLU76 4.0 57.5 1.0
O A:HOH307 4.2 40.0 1.0
CG B:GLU35 4.4 47.6 1.0
CG A:GLU76 4.4 52.6 1.0
OE1 B:GLU76 4.4 57.3 1.0
CG A:GLU35 4.5 45.4 1.0
O B:HOH351 4.5 53.5 1.0
CD B:GLU76 4.6 52.0 1.0
CB B:GLU35 4.8 46.7 1.0
CA A:GLU76 4.9 42.1 1.0
CB A:GLU76 4.9 46.1 1.0
O B:HOH314 5.0 63.2 1.0

Calcium binding site 2 out of 3 in 6d72

Go back to Calcium Binding Sites List in 6d72
Calcium binding site 2 out of 3 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions.


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 Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca202

b:69.6
occ:1.00
OE2 A:GLU35 2.2 50.3 1.0
OE1 B:GLU35 2.2 48.8 1.0
OE1 B:GLU76 2.2 57.3 1.0
O B:HOH351 2.4 53.5 1.0
O B:HOH314 2.4 63.2 1.0
CA A:CA201 2.8 71.3 1.0
CD B:GLU35 3.0 47.3 1.0
CD A:GLU35 3.0 45.9 1.0
CD B:GLU76 3.1 52.0 1.0
OE2 B:GLU35 3.2 49.6 1.0
OE2 B:GLU76 3.3 57.5 1.0
OE1 A:GLU35 3.4 43.6 1.0
O A:HOH320 3.9 67.3 1.0
OE2 A:GLU76 4.0 54.6 1.0
O B:HOH307 4.2 37.7 1.0
CG A:GLU35 4.3 45.4 1.0
CG B:GLU76 4.5 47.5 1.0
CG B:GLU35 4.5 47.6 1.0
O B:HOH343 4.5 59.8 1.0
OE1 A:GLU76 4.6 56.5 1.0
O B:HOH318 4.7 49.5 1.0
CB A:GLU35 4.7 46.7 1.0
CD A:GLU76 4.7 53.9 1.0
CA B:GLU76 4.8 39.8 1.0
CB B:GLU76 4.8 42.0 1.0
O A:HOH321 5.0 63.9 1.0

Calcium binding site 3 out of 3 in 6d72

Go back to Calcium Binding Sites List in 6d72
Calcium binding site 3 out of 3 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions.


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 Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca201

b:67.6
occ:1.00
OE2 C:GLU35 2.2 46.1 1.0
O C:HOH346 2.4 54.5 1.0
CD C:GLU35 3.1 43.9 1.0
OE1 C:GLU35 3.4 45.2 1.0
O C:HOH341 4.0 58.4 1.0
OE2 C:GLU76 4.2 46.4 1.0
CG C:GLU35 4.3 43.5 1.0
O C:HOH357 4.6 52.7 1.0
CB C:GLU35 4.7 41.4 1.0
OE1 C:GLU76 4.8 48.0 1.0
O9 C:MLI202 4.9 69.4 0.5
CD C:GLU76 5.0 48.6 1.0

Reference:

E.V.Filippova, G.Minasov, O.Kiryukhina, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Yersinia Pestis in Complex with Calcium Ions. To Be Published.
Page generated: Sat Dec 12 06:02:32 2020

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