Atomistry » Calcium » PDB 1xk4-1y1k » 1xkb
Atomistry »
  Calcium »
    PDB 1xk4-1y1k »
      1xkb »

Calcium in PDB 1xkb: 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: 1xkb 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 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.270, 105.220, 63.240, 90.00, 103.40, 90.00
R / Rfree (%) 20.6 / 29.4

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

Calcium binding site 1 out of 3 in 1xkb

Go back to Calcium Binding Sites List in 1xkb
Calcium binding site 1 out of 3 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
A:Ca501

b:66.4
occ:1.00
O A:LEU65 2.8 52.7 1.0
OE1 A:GLN49 2.9 54.4 1.0
OD1 A:BHD63 3.0 48.6 1.0
O A:GLY64 3.3 49.6 1.0
OD2 A:BHD63 3.3 50.8 1.0
CA A:GLY66 3.3 47.5 1.0
CG A:BHD63 3.5 49.7 1.0
C A:LEU65 3.5 51.9 1.0
N A:GLY66 3.8 49.7 1.0
C A:GLY66 3.8 46.5 1.0
CD A:GLN49 3.8 54.3 1.0
N A:GLU67 3.9 44.0 1.0
CG A:GLN49 4.1 52.6 1.0
C A:GLY64 4.4 51.3 1.0
O A:GLY66 4.6 46.1 1.0
CA A:LEU65 4.8 52.3 1.0

Calcium binding site 2 out of 3 in 1xkb

Go back to Calcium Binding Sites List in 1xkb
Calcium binding site 2 out of 3 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 2 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:Ca503

b:44.3
occ:1.00
OD1 C:ASP70 2.5 31.8 1.0
O C:ASN72 2.6 37.4 1.0
OE2 C:GLU80 2.8 49.5 1.0
OE2 C:GLU77 2.9 49.1 1.0
O C:GLN75 2.9 53.5 1.0
CD C:GLU77 3.1 49.0 1.0
OE1 C:GLU76 3.1 63.4 1.0
OE1 C:GLU80 3.2 48.7 1.0
OE1 C:GLU77 3.2 50.6 1.0
CD C:GLU80 3.4 47.2 1.0
C C:ASN72 3.6 36.6 1.0
CG C:ASP70 3.7 33.0 1.0
C C:GLN75 3.8 52.6 1.0
CA C:GLU76 3.8 54.4 1.0
N C:GLU77 4.1 52.4 1.0
CG C:GLU77 4.1 49.5 1.0
CD C:GLU76 4.2 61.7 1.0
N C:GLU76 4.2 53.3 1.0
N C:ASN72 4.3 33.8 1.0
C C:GLU76 4.4 54.0 1.0
OD2 C:ASP70 4.4 35.2 1.0
N C:THR73 4.4 38.3 1.0
CA C:ASN72 4.4 35.3 1.0
CA C:THR73 4.5 40.8 1.0
C C:THR73 4.7 42.9 1.0
CB C:ASN72 4.8 35.4 1.0
O C:THR73 4.8 43.3 1.0
N C:ARG71 4.8 33.4 1.0
CB C:ASP70 4.8 33.7 1.0
OE2 C:GLU76 4.8 63.5 1.0
CB C:GLU76 4.8 56.1 1.0
CG C:GLU80 4.9 45.4 1.0
CA C:ASP70 4.9 33.0 1.0
N C:GLN75 5.0 49.0 1.0

Calcium binding site 3 out of 3 in 1xkb

Go back to Calcium Binding Sites List in 1xkb
Calcium binding site 3 out of 3 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 3 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
D:Ca502

b:51.0
occ:1.00
O D:GLN75 2.6 53.7 1.0
OD1 D:ASP70 2.6 28.5 1.0
OE1 D:GLU80 2.6 60.2 1.0
O D:ASN72 2.9 33.9 1.0
OE2 D:GLU77 3.0 47.9 1.0
CG D:GLU77 3.1 48.8 1.0
CD D:GLU77 3.4 48.1 1.0
CG D:ASP70 3.7 28.4 1.0
N D:GLU77 3.7 53.7 1.0
C D:GLN75 3.7 53.2 1.0
CD D:GLU80 3.8 58.0 1.0
C D:ASN72 3.8 33.6 1.0
CA D:GLU76 4.0 54.9 1.0
N D:ASN72 4.1 32.2 1.0
OD2 D:ASP70 4.3 28.4 1.0
C D:GLU76 4.3 54.8 1.0
N D:GLU76 4.3 53.5 1.0
CB D:GLU77 4.4 51.2 1.0
OE2 D:GLU80 4.4 62.1 1.0
CA D:ASN72 4.5 33.0 1.0
N D:ARG71 4.5 30.7 1.0
OE1 D:GLU77 4.6 48.4 1.0
CA D:ASP70 4.6 27.6 1.0
CA D:GLU77 4.6 51.8 1.0
CB D:ASN72 4.7 32.6 1.0
CB D:ASP70 4.7 26.4 1.0
N D:THR73 4.8 35.7 1.0
N D:GLN75 4.8 50.9 1.0
CB D:GLU80 4.8 47.4 1.0
N D:GLY78 4.9 49.9 1.0
CA D:GLN75 4.9 52.7 1.0
CG D:GLU80 4.9 53.7 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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy