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Calcium in PDB 1xka: Factor Xa Complexed with A Synthetic Inhibitor Fx-2212A,(2S)-(3'- Amidino-3-Biphenylyl)-5-(4-Pyridylamino)Pentanoic Acid

Enzymatic activity of Factor Xa Complexed with A Synthetic Inhibitor Fx-2212A,(2S)-(3'- Amidino-3-Biphenylyl)-5-(4-Pyridylamino)Pentanoic Acid

All present enzymatic activity of Factor Xa Complexed with A Synthetic Inhibitor Fx-2212A,(2S)-(3'- Amidino-3-Biphenylyl)-5-(4-Pyridylamino)Pentanoic Acid:
3.4.21.6;

Protein crystallography data

The structure of Factor Xa Complexed with A Synthetic Inhibitor Fx-2212A,(2S)-(3'- Amidino-3-Biphenylyl)-5-(4-Pyridylamino)Pentanoic Acid, PDB code: 1xka was solved by K.Kamata, S.H.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.500, 65.800, 81.400, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 28.7

Calcium Binding Sites:

The binding sites of Calcium atom in the Factor Xa Complexed with A Synthetic Inhibitor Fx-2212A,(2S)-(3'- Amidino-3-Biphenylyl)-5-(4-Pyridylamino)Pentanoic Acid (pdb code 1xka). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Factor Xa Complexed with A Synthetic Inhibitor Fx-2212A,(2S)-(3'- Amidino-3-Biphenylyl)-5-(4-Pyridylamino)Pentanoic Acid, PDB code: 1xka:

Calcium binding site 1 out of 1 in 1xka

Go back to Calcium Binding Sites List in 1xka
Calcium binding site 1 out of 1 in the Factor Xa Complexed with A Synthetic Inhibitor Fx-2212A,(2S)-(3'- Amidino-3-Biphenylyl)-5-(4-Pyridylamino)Pentanoic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Factor Xa Complexed with A Synthetic Inhibitor Fx-2212A,(2S)-(3'- Amidino-3-Biphenylyl)-5-(4-Pyridylamino)Pentanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca501

b:69.5
occ:1.00
 O C:GLN75 2.5 25.4 1.0
O C:ASN72 2.7 18.3 1.0
OE2 C:GLU80 2.8 19.7 1.0
OD1 C:ASP70 2.8 4.5 1.0
C C:GLN75 3.2 27.2 1.0
OE2 C:GLU77 3.4 20.8 1.0
CG C:ASP70 3.6 5.2 1.0
CD C:GLU80 3.7 18.9 1.0
C C:ASN72 3.7 18.1 1.0
CA C:GLU76 3.8 26.8 1.0
N C:GLU76 3.8 27.2 1.0
OD2 C:ASP70 3.8 6.1 1.0
CG C:GLU80 4.0 17.8 1.0
CD C:GLU77 4.1 24.2 1.0
CG C:GLU77 4.1 23.0 1.0
N C:GLU77 4.1 25.4 1.0
N C:GLN75 4.2 26.7 1.0
CA C:GLN75 4.3 27.6 1.0
CA C:THR73 4.4 19.7 1.0
C C:GLU76 4.4 26.3 1.0
N C:THR73 4.5 19.6 1.0
O C:HOH533 4.5 24.1 1.0
C C:THR73 4.6 21.9 1.0
N C:ASN72 4.6 15.1 1.0
CA C:ASN72 4.7 17.1 1.0
OE1 C:GLU80 4.8 19.7 1.0
CB C:ASP70 4.8 6.0 1.0
O C:THR73 4.9 22.7 1.0
O C:HOH543 4.9 14.2 1.0
CB C:GLU76 5.0 28.0 1.0

Reference:

K.Kamata, H.Kawamoto, T.Honma, T.Iwama, S.H.Kim. Structural Basis For Chemical Inhibition of Human Blood Coagulation Factor Xa. Proc.Natl.Acad.Sci.Usa V. 95 6630 1998.
ISSN: ISSN 0027-8424
PubMed: 9618463
DOI: 10.1073/PNAS.95.12.6630
Page generated: Fri Jul 12 07:43:15 2024

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