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Calcium in PDB 8uud: BCX2627 Complexed with Human Fviia and Soluble Tissue Factor.

Enzymatic activity of BCX2627 Complexed with Human Fviia and Soluble Tissue Factor.

All present enzymatic activity of BCX2627 Complexed with Human Fviia and Soluble Tissue Factor.:
3.4.21.21;

Protein crystallography data

The structure of BCX2627 Complexed with Human Fviia and Soluble Tissue Factor., PDB code: 8uud was solved by R.Krishnan, P.Kotian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.09 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.494, 82.87, 126.555, 90, 90, 90
R / Rfree (%) 20.4 / 26.5

Calcium Binding Sites:

The binding sites of Calcium atom in the BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. (pdb code 8uud). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the BCX2627 Complexed with Human Fviia and Soluble Tissue Factor., PDB code: 8uud:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 8uud

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Calcium binding site 1 out of 9 in the BCX2627 Complexed with Human Fviia and 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 BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca203

b:58.3
occ:1.00
 OD2 L:ASP46 2.4 61.9 1.0
O L:GLN64 2.4 43.1 1.0
OE1 L:GLN49 2.4 62.5 1.0
OD2 L:ASP63 2.4 47.6 1.0
O L:GLY47 2.4 57.9 1.0
OD1 L:ASP63 2.5 42.9 1.0
CG L:ASP63 2.7 45.0 1.0
CD L:GLN49 3.5 63.5 1.0
CG L:ASP46 3.6 66.3 1.0
C L:GLN64 3.6 39.4 1.0
C L:GLY47 3.6 56.8 1.0
N L:GLN64 4.0 34.7 1.0
NE2 L:GLN49 4.1 57.8 1.0
N L:GLN49 4.2 48.8 1.0
CB L:ASP63 4.2 39.5 1.0
CB L:ASP46 4.3 65.7 1.0
CA L:ASP48 4.3 46.3 1.0
N L:ASP48 4.4 47.5 1.0
CA L:GLN64 4.5 39.1 1.0
OD1 L:ASP46 4.5 65.8 1.0
N L:GLN66 4.5 52.4 1.0
N L:LEU65 4.6 44.0 1.0
N L:GLY47 4.6 51.8 1.0
CA L:LEU65 4.6 48.4 1.0
C L:ASP63 4.6 33.2 1.0
C L:ASP46 4.7 59.4 1.0
O L:SER67 4.7 30.2 1.0
CA L:GLY47 4.7 59.4 1.0
CA L:ASP63 4.7 35.4 1.0
C L:ASP48 4.8 49.8 1.0
CG L:GLN49 4.8 59.8 1.0
O L:ASP46 4.9 62.5 1.0
CB L:GLN49 4.9 50.7 1.0

Calcium binding site 2 out of 9 in 8uud

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Calcium binding site 2 out of 9 in the BCX2627 Complexed with Human Fviia and 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 BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca204

b:123.1
occ:1.00
 OE12 L:CGU7 2.4 139.8 1.0
OE22 L:CGU29 2.4 110.1 1.0
OE21 L:CGU29 2.5 87.6 1.0
OE11 L:CGU26 2.5 68.5 1.0
OE21 L:CGU7 2.5 121.8 1.0
CD2 L:CGU29 2.8 97.9 1.0
OE12 L:CGU26 3.0 69.4 1.0
CD1 L:CGU26 3.0 67.5 1.0
CA L:CA205 3.2 103.0 1.0
CD1 L:CGU7 3.4 126.9 1.0
CD2 L:CGU7 3.7 113.9 1.0
OE11 L:CGU7 4.1 118.3 1.0
CG L:CGU7 4.2 117.3 1.0
CG L:CGU29 4.3 98.7 1.0
CG L:CGU26 4.5 71.8 1.0
OE22 L:CGU7 4.7 102.2 1.0
CA L:CA210 4.8 91.8 1.0
OE22 L:CGU26 4.9 114.1 1.0
OE12 L:CGU29 4.9 76.8 1.0
CA L:CGU26 5.0 72.6 1.0

Calcium binding site 3 out of 9 in 8uud

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Calcium binding site 3 out of 9 in the BCX2627 Complexed with Human Fviia and 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 BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca205

b:103.0
occ:1.00
 OE12 L:CGU26 2.4 69.4 1.0
OE22 L:CGU16 2.4 72.8 1.0
OE12 L:CGU7 2.4 139.8 1.0
OE22 L:CGU29 2.5 110.1 1.0
OE11 L:CGU7 2.5 118.3 1.0
CD1 L:CGU26 2.6 67.5 1.0
CD1 L:CGU7 2.8 126.9 1.0
CD2 L:CGU16 3.0 67.9 1.0
OE21 L:CGU16 3.1 50.0 1.0
OE11 L:CGU26 3.1 68.5 1.0
CA L:CA204 3.2 123.1 1.0
CG L:CGU26 3.2 71.8 1.0
CA L:CA206 3.7 105.9 1.0
CD2 L:CGU29 3.7 97.9 1.0
CD2 L:CGU26 4.2 84.8 1.0
CB L:CGU26 4.2 70.4 1.0
CG L:CGU7 4.3 117.3 1.0
OE21 L:CGU7 4.3 121.8 1.0
OE22 L:CGU26 4.3 114.1 1.0
CA L:CGU26 4.4 72.6 1.0
OE21 L:CGU29 4.4 87.6 1.0
CG L:CGU16 4.5 84.0 1.0
CB L:CGU29 4.7 107.0 1.0
CG L:CGU29 4.8 98.7 1.0
CD2 L:CGU7 4.8 113.9 1.0
OE11 L:CGU16 4.9 113.1 1.0
OD1 L:ASN2 4.9 131.4 1.0
CD1 L:CGU16 5.0 93.9 1.0

Calcium binding site 4 out of 9 in 8uud

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Calcium binding site 4 out of 9 in the BCX2627 Complexed with Human Fviia and 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 BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca206

b:105.9
occ:1.00
 OE22 L:CGU16 2.4 72.8 1.0
OE11 L:CGU16 2.4 113.1 1.0
OD1 L:ASN2 2.4 131.4 1.0
OE22 L:CGU26 2.4 114.1 1.0
OE11 L:CGU7 2.4 118.3 1.0
OE11 L:CGU6 2.4 111.8 1.0
O L:ALA1 2.5 124.6 1.0
OE12 L:CGU26 2.5 69.4 1.0
CD2 L:CGU26 2.9 84.8 1.0
CG L:ASN2 3.2 128.7 1.0
C L:ALA1 3.3 136.0 1.0
CD1 L:CGU16 3.3 93.9 1.0
CD1 L:CGU7 3.3 126.9 1.0
CB L:ASN2 3.4 132.9 1.0
CD1 L:CGU26 3.4 67.5 1.0
CD2 L:CGU16 3.5 67.9 1.0
CD1 L:CGU6 3.6 115.3 1.0
OE21 L:CGU26 3.6 75.5 1.0
CG L:CGU26 3.6 71.8 1.0
CA L:ASN2 3.7 140.5 1.0
CA L:CA205 3.7 103.0 1.0
CA L:CA207 3.8 127.7 1.0
N L:ASN2 3.8 141.6 1.0
CG L:CGU7 3.9 117.3 1.0
OE12 L:CGU6 4.0 108.2 1.0
CG L:CGU16 4.0 84.0 1.0
OE12 L:CGU16 4.0 102.9 1.0
N L:ALA1 4.2 123.8 1.0
OE12 L:CGU7 4.2 139.8 1.0
CA L:ALA1 4.3 130.8 1.0
ND2 L:ASN2 4.5 113.2 1.0
CD2 L:CGU7 4.6 113.9 1.0
OE21 L:CGU16 4.6 50.0 1.0
OE11 L:CGU26 4.6 68.5 1.0
OE21 L:CGU20 4.7 99.4 1.0
OE21 L:CGU7 4.8 121.8 1.0
CG L:CGU6 4.9 115.1 1.0
CB L:CGU16 5.0 75.5 1.0
OE21 L:CGU6 5.0 119.5 1.0

Calcium binding site 5 out of 9 in 8uud

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Calcium binding site 5 out of 9 in the BCX2627 Complexed with Human Fviia and 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 BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca207

b:127.7
occ:1.00
 OE21 L:CGU20 2.4 99.4 1.0
OE11 L:CGU6 2.4 111.8 1.0
OE11 L:CGU16 2.4 113.1 1.0
O L:ALA1 2.4 124.6 1.0
OE21 L:CGU6 2.4 119.5 1.0
OE22 L:CGU20 2.5 112.1 1.0
OE12 L:CGU16 2.5 102.9 1.0
CD1 L:CGU6 2.7 115.3 1.0
CD2 L:CGU20 2.8 115.3 1.0
CD1 L:CGU16 2.8 93.9 1.0
CD2 L:CGU6 2.9 115.7 1.0
CG L:CGU6 3.3 115.1 1.0
OE12 L:CGU6 3.4 108.2 1.0
C L:ALA1 3.5 136.0 1.0
OE22 L:CGU6 3.7 95.3 1.0
CA L:CA206 3.8 105.9 1.0
N L:ALA1 4.2 123.8 1.0
CG L:CGU20 4.3 114.5 1.0
CA L:ALA1 4.3 130.8 1.0
CG L:CGU16 4.3 84.0 1.0
N L:ASN2 4.4 141.6 1.0
CB L:CGU6 4.5 95.3 1.0
CA L:CGU16 4.5 67.0 1.0
CA L:CA209 4.6 107.5 1.0
CA L:ASN2 4.6 140.5 1.0
CB L:ALA1 4.7 128.1 1.0
OE22 L:CGU16 4.8 72.8 1.0
C L:ARG15 4.8 111.5 1.0
N L:CGU16 4.9 73.6 1.0
CB L:CGU20 5.0 102.5 1.0
CB L:CGU16 5.0 75.5 1.0

Calcium binding site 6 out of 9 in 8uud

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Calcium binding site 6 out of 9 in the BCX2627 Complexed with Human Fviia and 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 BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca208

b:87.2
occ:1.00
 OE11 L:CGU14 2.4 89.8 1.0
OE21 L:CGU14 2.4 95.9 1.0
OE21 L:CGU19 2.4 88.9 1.0
OE12 L:CGU19 2.4 87.5 1.0
CG L:CGU19 2.9 107.4 1.0
CD2 L:CGU19 3.0 105.1 1.0
CD1 L:CGU19 3.1 107.8 1.0
CD1 L:CGU14 3.2 102.6 1.0
CD2 L:CGU14 3.2 101.8 1.0
CG L:CGU14 3.5 105.8 1.0
CA L:CGU14 3.7 95.9 1.0
C L:CGU14 3.7 105.9 1.0
CB L:CGU14 3.9 108.8 1.0
N L:ARG15 3.9 129.8 1.0
OE22 L:CGU19 4.2 118.8 1.0
OE12 L:CGU14 4.2 95.7 1.0
OE22 L:CGU14 4.3 103.8 1.0
OE11 L:CGU19 4.3 115.7 1.0
CB L:CGU19 4.4 103.4 1.0
O L:CGU14 4.6 94.0 1.0
NZ L:LYS18 4.6 136.3 1.0
N L:CGU19 4.8 98.7 1.0

Calcium binding site 7 out of 9 in 8uud

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Calcium binding site 7 out of 9 in the BCX2627 Complexed with Human Fviia and 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 BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca209

b:107.5
occ:1.00
 OE12 L:CGU20 2.4 105.5 1.0
OE22 L:CGU20 2.4 112.1 1.0
CG L:CGU20 2.9 114.5 1.0
CD2 L:CGU20 2.9 115.3 1.0
CD1 L:CGU20 3.1 111.9 1.0
OE21 L:CGU20 4.0 99.4 1.0
OE11 L:CGU20 4.3 102.9 1.0
CB L:CGU20 4.4 102.5 1.0
CA L:CA207 4.6 127.7 1.0
N L:CGU20 4.9 87.0 1.0
OE21 L:CGU6 4.9 119.5 1.0
OE22 L:CGU6 4.9 95.3 1.0

Calcium binding site 8 out of 9 in 8uud

Go back to Calcium Binding Sites List in 8uud
Calcium binding site 8 out of 9 in the BCX2627 Complexed with Human Fviia and 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 BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca210

b:91.8
occ:1.00
 CD1 L:CGU29 2.4 80.4 1.0
OE11 L:CGU29 2.4 56.9 1.0
OE21 L:CGU29 2.4 87.6 1.0
OE12 L:CGU25 2.5 88.1 1.0
OE22 L:CGU25 2.5 77.1 1.0
OE12 L:CGU29 2.9 76.8 1.0
CG L:CGU29 2.9 98.7 1.0
CD2 L:CGU29 3.1 97.9 1.0
CD1 L:CGU25 3.3 75.4 1.0
CD2 L:CGU25 3.4 74.7 1.0
CB L:CGU25 3.5 77.4 1.0
CG L:CGU25 3.6 76.5 1.0
O L:HOH317 4.0 37.4 1.0
C L:CGU25 4.3 60.5 1.0
OE11 L:CGU25 4.3 61.1 1.0
CA L:CGU25 4.4 63.5 1.0
OE22 L:CGU29 4.4 110.1 1.0
O L:CGU25 4.4 58.6 1.0
CB L:CGU29 4.4 107.0 1.0
OE21 L:CGU25 4.6 49.8 1.0
N L:CGU29 4.7 84.5 1.0
N L:CGU26 4.7 64.0 1.0
CA L:CA204 4.8 123.1 1.0
OE11 L:CGU26 5.0 68.5 1.0
CA L:CGU29 5.0 111.1 1.0

Calcium binding site 9 out of 9 in 8uud

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Calcium binding site 9 out of 9 in the BCX2627 Complexed with Human Fviia and Soluble Tissue Factor.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of BCX2627 Complexed with Human Fviia and Soluble Tissue Factor. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca301

b:44.0
occ:1.00
 O H:ASP75 2.2 23.4 1.0
OE2 H:GLU73 2.2 18.3 1.0
O H:GLU78 2.2 40.2 1.0
OE2 H:GLU83 2.4 33.8 1.0
CD H:GLU83 2.9 30.3 1.0
CD H:GLU73 3.0 20.8 1.0
OE1 H:GLU83 3.1 36.8 1.0
OE1 H:GLU73 3.1 21.2 1.0
C H:GLU78 3.3 35.9 1.0
C H:ASP75 3.3 23.2 1.0
CA H:HIS79 4.0 41.8 1.0
N H:HIS79 4.1 39.7 1.0
CG H:GLU83 4.1 29.1 1.0
CA H:LEU76 4.1 27.0 1.0
N H:ASP75 4.1 21.3 1.0
N H:LEU76 4.1 23.5 1.0
N H:GLU78 4.1 29.5 1.0
C H:LEU76 4.3 24.2 1.0
CA H:ASP75 4.3 24.1 1.0
CA H:GLU78 4.3 33.8 1.0
CG H:GLU73 4.5 21.9 1.0
N H:HIS74 4.6 19.2 1.0
O H:LEU76 4.6 25.6 1.0
ND1 H:HIS79 4.6 52.4 1.0
N H:ASP80 4.7 34.7 1.0
N H:SER77 4.7 24.2 1.0
CB H:ASP75 4.8 25.5 1.0
C H:HIS79 4.9 37.4 1.0
CG H:HIS79 4.9 48.0 1.0
CG H:GLU78 4.9 51.2 1.0

Reference:

R.Krishnan, R.Krishnan, P.Kotian. N/A N/A.
Page generated: Tue Dec 10 18:46:06 2024

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