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Calcium in PDB 4zma: Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor

Enzymatic activity of Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor

All present enzymatic activity of Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor, PDB code: 4zma was solved by A.B.Sorensen, L.A.Svensson, P.S.Gandhi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.77 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.209, 80.898, 125.759, 90.00, 90.00, 90.00
R / Rfree (%) 24 / 29.5

Other elements in 4zma:

The structure of Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor also contains other interesting chemical elements:

Arsenic (As) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor (pdb code 4zma). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor, PDB code: 4zma:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 4zma

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Calcium binding site 1 out of 8 in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor


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 A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca201

b:52.7
occ:1.00
OD2 L:ASP63 2.3 53.0 1.0
OD1 L:ASP63 2.3 48.1 1.0
OD2 L:ASP46 2.4 55.3 1.0
O L:GLN64 2.4 46.5 1.0
OE1 L:GLN49 2.4 55.4 1.0
CG L:ASP63 2.5 48.2 1.0
O L:GLY47 2.6 46.6 1.0
HE22 L:GLN49 3.2 60.7 1.0
CD L:GLN49 3.3 53.4 1.0
H L:GLN64 3.4 48.7 1.0
C L:GLN64 3.5 44.0 1.0
HA L:ASP48 3.5 64.0 1.0
H L:GLN49 3.5 67.5 1.0
CG L:ASP46 3.6 57.8 1.0
NE2 L:GLN49 3.6 50.6 1.0
H L:GLN66 3.7 65.0 1.0
C L:GLY47 3.8 56.8 1.0
N L:GLN64 3.8 40.6 1.0
HA L:LEU65 4.0 61.9 1.0
CB L:ASP63 4.0 52.8 1.0
O L:ASP46 4.2 58.5 1.0
CA L:GLN64 4.2 43.3 1.0
OD1 L:ASP46 4.3 57.8 1.0
N L:GLN49 4.3 56.2 1.0
H L:SER67 4.3 56.0 1.0
CA L:ASP48 4.3 53.3 1.0
N L:GLN66 4.4 54.2 1.0
HB3 L:ASP63 4.4 63.3 1.0
N L:LEU65 4.4 47.0 1.0
HE21 L:GLN49 4.4 60.7 1.0
C L:ASP63 4.5 43.4 1.0
O L:SER67 4.5 49.3 1.0
C L:ASP46 4.5 58.6 1.0
N L:ASP48 4.5 63.8 1.0
HB2 L:ASP63 4.5 63.3 1.0
HB2 L:GLN49 4.6 58.6 1.0
HA L:ASP63 4.6 56.8 1.0
CA L:LEU65 4.6 51.6 1.0
HB3 L:ASP46 4.6 65.2 1.0
HA L:GLN64 4.6 51.9 1.0
CA L:ASP63 4.6 47.4 1.0
CG L:GLN49 4.7 51.4 1.0
CB L:ASP46 4.7 54.4 1.0
N L:GLY47 4.8 57.5 1.0
CA L:GLY47 4.9 57.0 1.0
C L:ASP48 4.9 59.8 1.0
OE1 T:GLN110 4.9 45.8 1.0
C L:LEU65 4.9 53.6 1.0
HG2 L:GLN49 5.0 61.7 1.0

Calcium binding site 2 out of 8 in 4zma

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Calcium binding site 2 out of 8 in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor


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 A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca202

b:44.0
occ:1.00
OE11 L:CGU29 2.1 41.4 1.0
OE21 L:CGU7 2.2 45.9 1.0
OE12 L:CGU29 2.3 48.1 1.0
OE12 L:CGU7 2.3 55.8 1.0
O L:HOH315 2.4 41.1 1.0
O L:HOH301 2.4 49.8 1.0
OE22 L:CGU26 2.4 48.1 1.0
CD1 L:CGU29 2.5 40.8 1.0
CD2 L:CGU7 2.5 50.8 1.0
OE22 L:CGU7 3.0 62.8 1.0
CD1 L:CGU7 3.2 54.5 1.0
CD2 L:CGU26 3.3 54.1 1.0
CA L:CA203 3.4 47.4 1.0
CG L:CGU7 3.4 54.9 1.0
OE21 L:CGU26 3.5 55.1 1.0
HD21 L:ASN2 3.9 69.7 1.0
HB2 L:CGU7 4.0 62.1 1.0
CG L:CGU29 4.1 42.6 1.0
OD1 L:ASN2 4.1 63.1 1.0
HA L:CGU26 4.1 59.0 1.0
O L:HOH307 4.2 44.9 1.0
HG L:CGU7 4.3 65.9 1.0
CB L:CGU7 4.3 51.8 1.0
OE11 L:CGU7 4.4 49.8 1.0
ND2 L:ASN2 4.5 58.1 1.0
HG L:CGU29 4.5 51.2 1.0
CG L:ASN2 4.6 57.5 1.0
HB3 L:CGU29 4.7 63.4 1.0
CD2 L:CGU29 4.7 45.9 1.0
CG L:CGU26 4.8 53.4 1.0
OE21 L:CGU29 4.9 46.4 1.0
CB L:CGU29 4.9 52.8 1.0
HG L:CGU26 4.9 64.0 1.0
O L:HOH303 5.0 48.0 1.0
HB3 L:CGU7 5.0 62.1 1.0

Calcium binding site 3 out of 8 in 4zma

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Calcium binding site 3 out of 8 in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor


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 A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca203

b:47.4
occ:1.00
OE22 L:CGU7 2.1 62.8 1.0
OE21 L:CGU7 2.3 45.9 1.0
O L:HOH307 2.4 44.9 1.0
O L:HOH303 2.4 48.0 1.0
OE12 L:CGU29 2.5 48.1 1.0
OE21 L:CGU26 2.5 55.1 1.0
OE11 L:CGU16 2.5 59.1 1.0
CD2 L:CGU7 2.5 50.8 1.0
OE12 L:CGU16 3.2 52.2 1.0
CD1 L:CGU16 3.2 57.6 1.0
CD2 L:CGU26 3.3 54.1 1.0
CA L:CA202 3.4 44.0 1.0
OE22 L:CGU26 3.7 48.1 1.0
CD1 L:CGU29 3.7 40.8 1.0
OE21 L:CGU6 3.8 54.2 1.0
CA L:CA204 3.8 64.8 1.0
HA L:CGU26 3.9 59.0 1.0
HA L:CGU7 3.9 54.3 1.0
HB3 L:CGU29 4.0 63.4 1.0
CG L:CGU7 4.0 54.9 1.0
OD1 L:ASN2 4.1 63.1 1.0
HB2 L:CGU26 4.1 60.8 1.0
HB2 L:CGU29 4.1 63.4 1.0
HA2 L:GLY11 4.3 64.4 1.0
HG L:CGU7 4.4 65.9 1.0
HA3 L:GLY11 4.4 64.4 1.0
OE11 L:CGU29 4.5 41.4 1.0
CB L:CGU29 4.5 52.8 1.0
CG L:CGU26 4.5 53.4 1.0
CB L:CGU26 4.6 50.6 1.0
CG L:CGU16 4.7 58.2 1.0
CG L:CGU29 4.7 42.6 1.0
CA L:CGU26 4.7 49.1 1.0
HB2 L:CGU7 4.7 62.1 1.0
CB L:CGU7 4.8 51.8 1.0
OE11 L:CGU26 4.8 56.0 1.0
CA L:GLY11 4.8 53.7 1.0
O L:CGU26 4.8 56.1 1.0
CA L:CGU7 4.8 45.2 1.0
OE12 L:CGU7 4.8 55.8 1.0
CD2 L:CGU6 4.9 59.0 1.0
CD1 L:CGU7 5.0 54.5 1.0

Calcium binding site 4 out of 8 in 4zma

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Calcium binding site 4 out of 8 in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor


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 A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca204

b:64.8
occ:1.00
O L:ALA1 1.9 71.7 1.0
OE22 L:CGU6 2.1 70.9 1.0
OE21 L:CGU6 2.3 54.2 1.0
OE11 L:CGU16 2.4 59.1 1.0
OD1 L:ASN2 2.4 63.1 1.0
OE22 L:CGU16 2.5 57.2 1.0
OE21 L:CGU26 2.5 55.1 1.0
CD2 L:CGU6 2.5 59.0 1.0
C L:ALA1 2.5 62.9 1.0
OE11 L:CGU26 2.6 56.0 1.0
OE22 L:CGU7 2.8 62.8 1.0
HA L:ASN2 2.9 74.7 1.0
H2 L:ALA1 3.1 74.6 1.0
N L:ASN2 3.2 57.3 1.0
H3 L:ALA1 3.3 74.6 1.0
CD2 L:CGU16 3.4 55.4 1.0
CG L:ASN2 3.4 57.5 1.0
N L:ALA1 3.4 62.1 1.0
CA L:ASN2 3.5 62.2 1.0
CA L:ALA1 3.5 59.6 1.0
CD1 L:CGU16 3.5 57.6 1.0
CD2 L:CGU26 3.6 54.1 1.0
CD1 L:CGU26 3.6 51.7 1.0
CA L:CA205 3.7 57.2 1.0
CA L:CA203 3.8 47.4 1.0
HA L:ALA1 3.8 71.6 1.0
H L:ASN2 3.9 68.7 1.0
CD2 L:CGU7 4.0 50.8 1.0
CG L:CGU16 4.0 58.2 1.0
CB L:ASN2 4.0 56.5 1.0
HG L:CGU7 4.0 65.9 1.0
CG L:CGU6 4.1 55.8 1.0
HB2 L:CGU6 4.1 67.9 1.0
CG L:CGU26 4.2 53.4 1.0
HB2 L:CGU16 4.2 77.4 1.0
OE21 L:CGU16 4.3 57.6 1.0
H1 L:ALA1 4.3 74.6 1.0
ND2 L:ASN2 4.4 58.1 1.0
HB2 L:CGU26 4.4 60.8 1.0
HD21 L:ASN2 4.5 69.7 1.0
OE22 L:CGU26 4.5 48.1 1.0
HB3 L:ASN2 4.5 67.8 1.0
OE12 L:CGU16 4.6 52.2 1.0
HG L:CGU6 4.6 67.0 1.0
CG L:CGU7 4.6 54.9 1.0
H L:ALA3 4.6 66.2 1.0
OE12 L:CGU26 4.6 48.2 1.0
CB L:CGU6 4.7 56.6 1.0
CB L:CGU16 4.7 64.5 1.0
OE12 L:CGU20 4.7 61.4 1.0
HB2 L:ASN2 4.7 67.8 1.0
C L:ASN2 4.8 61.9 1.0
CB L:ALA1 4.8 61.6 1.0
HA L:CGU16 4.9 71.2 1.0
CD1 L:CGU6 4.9 64.2 1.0
HB3 L:ALA1 4.9 73.9 1.0
OE21 L:CGU7 4.9 45.9 1.0
HG L:CGU16 4.9 69.9 1.0
CB L:CGU26 4.9 50.6 1.0
OE12 L:CGU6 4.9 66.5 1.0

Calcium binding site 5 out of 8 in 4zma

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Calcium binding site 5 out of 8 in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca205

b:57.2
occ:1.00
OE22 L:CGU16 2.1 57.2 1.0
OE22 L:CGU6 2.1 70.9 1.0
OE12 L:CGU6 2.3 66.5 1.0
OE21 L:CGU16 2.3 57.6 1.0
OE12 L:CGU20 2.3 61.4 1.0
O L:ALA1 2.5 71.7 1.0
CD1 L:CGU6 2.5 64.2 1.0
CD2 L:CGU6 2.5 59.0 1.0
CD2 L:CGU16 2.5 55.4 1.0
OE11 L:CGU20 2.8 66.4 1.0
H3 L:ALA1 2.9 74.6 1.0
CD1 L:CGU20 3.0 63.8 1.0
CG L:CGU6 3.1 55.8 1.0
OE11 L:CGU6 3.2 61.2 1.0
OE21 L:CGU6 3.3 54.2 1.0
HE L:ARG15 3.4 67.8 1.0
C L:ALA1 3.5 62.9 1.0
HG2 L:ARG15 3.6 71.1 1.0
HA L:CGU16 3.6 71.2 1.0
CA L:CA204 3.7 64.8 1.0
N L:ALA1 3.7 62.1 1.0
HG L:CGU6 3.7 67.0 1.0
HB3 L:ALA1 3.8 73.9 1.0
CA L:ALA1 4.1 59.6 1.0
CG L:CGU16 4.1 58.2 1.0
H2 L:ALA1 4.1 74.6 1.0
NE L:ARG15 4.2 56.5 1.0
H1 L:ALA1 4.2 74.6 1.0
O L:ARG15 4.3 61.5 1.0
CB L:CGU6 4.3 56.6 1.0
H L:ALA3 4.3 66.2 1.0
HB3 L:CGU6 4.4 67.9 1.0
HA L:ASN2 4.4 74.7 1.0
CB L:ALA1 4.4 61.6 1.0
CG L:CGU20 4.5 65.9 1.0
HD2 L:ARG15 4.5 64.0 1.0
CG L:ARG15 4.5 59.2 1.0
CA L:CA206 4.5 70.7 1.0
HB2 L:CGU6 4.5 67.9 1.0
OE11 L:CGU16 4.6 59.1 1.0
HG L:CGU16 4.6 69.9 1.0
N L:ASN2 4.6 57.3 1.0
CA L:CGU16 4.6 59.3 1.0
O L:HOH306 4.6 55.6 1.0
CD L:ARG15 4.6 53.4 1.0
HH21 L:ARG15 4.6 56.9 1.0
HB3 L:CGU20 4.7 71.7 1.0
C L:ARG15 4.8 59.5 1.0
HG L:CGU20 4.8 79.1 1.0
CB L:CGU16 4.8 64.5 1.0
CD1 L:CGU16 4.8 57.6 1.0
HA L:ALA1 5.0 71.6 1.0
HB1 L:ALA1 5.0 73.9 1.0
CA L:ASN2 5.0 62.2 1.0

Calcium binding site 6 out of 8 in 4zma

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Calcium binding site 6 out of 8 in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca206

b:70.7
occ:1.00
HG L:CGU20 2.2 79.1 1.0
OE11 L:CGU20 2.2 66.4 1.0
OE22 L:CGU20 2.4 71.3 1.0
O L:HOH325 2.4 58.1 1.0
O L:HOH306 2.5 55.6 1.0
CG L:CGU20 2.5 65.9 1.0
CD2 L:CGU20 2.5 67.4 1.0
CD1 L:CGU20 2.5 63.8 1.0
OE21 L:CGU20 3.5 63.3 1.0
O L:ARG15 3.5 61.5 1.0
HG L:CGU19 3.6 81.9 1.0
OE12 L:CGU20 3.6 61.4 1.0
HB2 L:CGU19 3.7 79.5 1.0
HG2 L:ARG15 3.7 71.1 1.0
OE21 L:CGU19 3.7 77.9 1.0
HG3 L:ARG15 4.0 71.1 1.0
CB L:CGU20 4.0 59.7 1.0
CG L:ARG15 4.3 59.2 1.0
CG L:CGU19 4.4 68.3 1.0
HB3 L:CGU20 4.5 71.7 1.0
CD2 L:CGU19 4.5 72.0 1.0
CB L:CGU19 4.5 66.3 1.0
N L:CGU20 4.5 68.1 1.0
CA L:CA205 4.5 57.2 1.0
C L:CGU19 4.6 62.8 1.0
HB2 L:CGU20 4.6 71.7 1.0
C L:ARG15 4.7 59.5 1.0
O L:CGU19 4.7 60.5 1.0
HA L:ARG15 4.7 70.0 1.0
CA L:CGU20 4.7 68.0 1.0
H L:CGU20 4.8 81.7 1.0
HA L:CGU20 4.9 81.6 1.0
HD2 L:ARG15 5.0 64.0 1.0
OE12 L:CGU6 5.0 66.5 1.0

Calcium binding site 7 out of 8 in 4zma

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Calcium binding site 7 out of 8 in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca207

b:73.9
occ:1.00
O L:HOH328 2.4 63.6 1.0
OE11 L:CGU14 2.5 71.3 1.0
OE11 L:CGU19 2.5 76.0 1.0
OE22 L:CGU19 2.5 67.6 1.0
OE21 L:CGU14 2.6 67.6 1.0
CD1 L:CGU14 3.3 64.8 1.0
CD2 L:CGU14 3.3 60.3 1.0
HB3 L:CGU19 3.4 79.5 1.0
CD2 L:CGU19 3.5 72.0 1.0
CD1 L:CGU19 3.5 71.7 1.0
CG L:CGU19 3.9 68.3 1.0
CG L:CGU14 3.9 61.7 1.0
OE22 L:CGU14 4.1 61.6 1.0
OE12 L:CGU14 4.1 59.0 1.0
CB L:CGU19 4.2 66.3 1.0
OE21 L:CGU19 4.6 77.9 1.0
OE12 L:CGU19 4.7 69.5 1.0
HB2 L:CGU14 4.7 72.7 1.0
HG L:CGU14 4.7 74.0 1.0
HA L:CGU19 4.8 72.8 1.0
CB L:CGU14 4.9 60.5 1.0
O L:CGU14 4.9 60.8 1.0
HB2 L:CGU19 4.9 79.5 1.0

Calcium binding site 8 out of 8 in 4zma

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Calcium binding site 8 out of 8 in the Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of A Fviia-Trypsin Chimera (St) in Complex with Soluble Tissue Factor within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca502

b:32.7
occ:1.00
OE1 H:GLU70 2.3 32.0 1.0
OE1 H:GLU80 2.3 30.7 1.0
O H:ASP72 2.3 32.6 1.0
O H:GLU75 2.4 36.4 1.0
OE2 H:GLU70 2.4 36.7 1.0
O H:HOH658 2.4 25.9 1.0
O H:HOH648 2.4 34.0 1.0
CD H:GLU70 2.7 31.9 1.0
HA H:HIS76 3.2 38.9 1.0
HG2 H:GLU80 3.3 33.5 1.0
CD H:GLU80 3.4 35.9 1.0
C H:ASP72 3.5 34.0 1.0
C H:GLU75 3.6 36.1 1.0
H H:HIS71 3.6 24.7 1.0
H H:ASP72 3.6 34.0 1.0
CG H:GLU80 3.7 28.0 1.0
HG3 H:GLU80 3.8 33.5 1.0
HA H:LEU73 3.9 36.9 1.0
O H:HOH664 3.9 25.1 1.0
H H:GLU75 4.0 40.2 1.0
H H:ASP77 4.0 36.6 1.0
HA H:GLU70 4.1 31.0 1.0
N H:ASP72 4.1 28.3 1.0
CA H:HIS76 4.1 32.4 1.0
HB3 H:ASP72 4.1 34.1 1.0
CG H:GLU70 4.2 31.7 1.0
N H:HIS76 4.3 36.2 1.0
CA H:ASP72 4.3 26.5 1.0
N H:LEU73 4.4 31.0 1.0
N H:HIS71 4.4 20.6 1.0
OE2 H:GLU80 4.5 35.8 1.0
CA H:LEU73 4.5 30.8 1.0
O H:HOH633 4.5 35.9 1.0
HG3 H:GLU70 4.6 38.0 1.0
HG2 H:GLU70 4.6 38.0 1.0
N H:GLU75 4.7 33.5 1.0
CA H:GLU75 4.7 30.9 1.0
N H:ASP77 4.7 30.5 1.0
CB H:ASP72 4.8 28.4 1.0
HD23 H:LEU73 4.8 36.3 1.0
C H:LEU73 4.8 31.0 1.0
CA H:GLU70 4.8 25.8 1.0
HD2 H:HIS76 4.9 45.4 1.0
CB H:GLU70 4.9 28.0 1.0
HB2 H:GLU70 4.9 33.6 1.0
C H:HIS71 5.0 25.7 1.0
O H:LEU73 5.0 34.0 1.0

Reference:

A.B.Sorensen, J.J.Madsen, L.A.Svensson, A.A.Pedersen, H.Stergaard, M.T.Overgaard, O.H.Olsen, P.S.Gandhi. Molecular Basis of Enhanced Activity in Factor Viia-Trypsin Variants Conveys Insights Into Tissue Factor-Mediated Allosteric Regulation of Factor Viia Activity. J.Biol.Chem. V. 291 4671 2016.
ISSN: ESSN 1083-351X
PubMed: 26694616
DOI: 10.1074/JBC.M115.698613
Page generated: Sun Jul 14 15:48:29 2024

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