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Calcium in PDB 1j9l: Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate

Protein crystallography data

The structure of Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate, PDB code: 1j9l was solved by S.W.Suh, J.Y.Lee, J.E.Kwak, J.Moon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 17.68 / 1.90
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.724, 114.724, 77.543, 90.00, 90.00, 120.00
R / Rfree (%) 19.9 / 24.1

Other elements in 1j9l:

The structure of Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate also contains other interesting chemical elements:

Vanadium (V) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate (pdb code 1j9l). 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 Sure Protein From T.Maritima in Complex with Vanadate, PDB code: 1j9l:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 1j9l

Go back to Calcium Binding Sites List in 1j9l
Calcium binding site 1 out of 3 in the Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate


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 Sure Protein From T.Maritima in Complex with Vanadate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1301

b:33.1
occ:1.00
OD1 A:ASN95 2.2 26.2 1.0
O4 A:VO4401 2.4 82.8 1.0
OD1 A:ASP9 2.4 45.2 1.0
OD2 A:ASP8 2.5 35.6 1.0
OG A:SER39 2.5 30.8 1.0
O A:HOH1367 2.6 44.3 1.0
OD2 A:ASP9 2.8 42.3 1.0
CG A:ASP9 2.8 43.9 1.0
CG A:ASN95 3.3 26.3 1.0
CG A:ASP8 3.4 35.4 1.0
OD1 A:ASP8 3.5 37.4 1.0
CB A:SER39 3.7 37.6 1.0
ND2 A:ASN95 3.8 25.2 1.0
V A:VO4401 3.9 84.5 1.0
CB A:ASP9 4.2 41.1 1.0
O A:HOH1365 4.4 29.5 1.0
O3 A:VO4401 4.4 80.7 1.0
N A:ASP9 4.4 36.8 1.0
OE2 A:GLU37 4.5 53.2 1.0
O2 A:VO4401 4.5 82.5 1.0
CA A:SER39 4.5 37.9 1.0
CA A:ASP9 4.5 40.1 1.0
OG1 A:THR109 4.6 24.9 1.0
CB A:ASN95 4.6 25.2 1.0
O A:ARG96 4.6 26.6 1.0
C A:ASP8 4.7 33.5 1.0
N A:ARG96 4.7 27.0 1.0
CB A:ASP8 4.8 32.9 1.0
O1 A:VO4401 4.8 82.3 1.0
O A:ASP8 5.0 33.5 1.0

Calcium binding site 2 out of 3 in 1j9l

Go back to Calcium Binding Sites List in 1j9l
Calcium binding site 2 out of 3 in the Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate


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 Sure Protein From T.Maritima in Complex with Vanadate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1302

b:35.7
occ:1.00
O A:TRP183 2.2 24.3 1.0
OD2 A:ASP185 2.3 35.2 1.0
O A:HOH1413 2.4 31.3 1.0
O A:HOH1355 2.4 34.2 1.0
O A:HOH1414 2.4 39.7 1.0
O A:HOH1352 2.6 28.8 1.0
O A:HOH1354 2.8 37.1 1.0
C A:TRP183 3.4 24.5 1.0
CG A:ASP185 3.4 32.8 1.0
N A:ASP185 3.9 28.8 1.0
OD1 A:ASP185 4.0 35.1 1.0
O A:HOH1353 4.1 54.7 1.0
CA A:TRP183 4.2 24.2 1.0
N A:TRP183 4.3 23.8 1.0
N A:ASN184 4.4 25.2 1.0
O A:HOH1351 4.5 40.2 1.0
CA A:ASN184 4.5 26.2 1.0
CB A:ASP185 4.6 32.3 1.0
CB A:TRP183 4.6 26.7 1.0
C A:ASN184 4.7 27.6 1.0
CA A:ASP185 4.8 30.8 1.0

Calcium binding site 3 out of 3 in 1j9l

Go back to Calcium Binding Sites List in 1j9l
Calcium binding site 3 out of 3 in the Crystal Structure of Sure Protein From T.Maritima in Complex with Vanadate


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 Sure Protein From T.Maritima in Complex with Vanadate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1303

b:37.2
occ:1.00
OD2 B:ASP9 2.2 43.4 1.0
O B:HOH1402 2.2 44.2 1.0
O4 B:VO41401 2.3 63.9 1.0
OD1 B:ASN95 2.3 21.1 1.0
OD1 B:ASP8 2.5 34.5 1.0
OG B:SER39 2.6 43.3 1.0
CG B:ASP9 3.1 40.7 1.0
OD2 B:ASP8 3.2 37.3 1.0
CG B:ASP8 3.2 33.6 1.0
OD1 B:ASP9 3.2 41.9 1.0
CG B:ASN95 3.4 25.4 1.0
V B:VO41401 3.7 66.6 1.0
CB B:SER39 3.8 49.6 1.0
ND2 B:ASN95 3.9 23.6 1.0
O3 B:VO41401 4.0 59.9 1.0
O B:HOH1405 4.4 33.0 1.0
CB B:ASP9 4.4 36.8 1.0
O1 B:VO41401 4.5 65.1 1.0
OG1 B:THR109 4.5 25.5 1.0
O B:ARG96 4.5 28.0 1.0
O2 B:VO41401 4.5 64.0 1.0
CA B:SER39 4.6 49.0 1.0
N B:ASP9 4.7 31.6 1.0
CB B:ASN95 4.7 22.6 1.0
N B:ARG96 4.7 24.8 1.0
CB B:ASP8 4.7 30.8 1.0
C B:ASP8 4.7 30.5 1.0
CA B:ASP9 4.8 35.2 1.0
O B:ASP8 4.9 31.0 1.0

Reference:

J.Y.Lee, J.E.Kwak, J.Moon, S.H.Eom, E.C.Liong, J.D.Pedelacq, J.Berendzen, S.W.Suh. Crystal Structure and Functional Analysis of the Sure Protein Identify A Novel Phosphatase Family. Nat.Struct.Biol. V. 8 789 2001.
ISSN: ISSN 1072-8368
PubMed: 11524683
DOI: 10.1038/NSB0901-789
Page generated: Wed Oct 28 07:10:38 2020

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