Atomistry » Calcium » PDB 2dw1-2eek » 2ec9
Atomistry »
  Calcium »
    PDB 2dw1-2eek »
      2ec9 »

Calcium in PDB 2ec9: Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607

Enzymatic activity of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607

All present enzymatic activity of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607, PDB code: 2ec9 was solved by K.Raman, B.Yarlagadda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.780, 81.410, 125.350, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 (pdb code 2ec9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607, PDB code: 2ec9:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 2ec9

Go back to Calcium Binding Sites List in 2ec9
Calcium binding site 1 out of 9 in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1002

b:64.0
occ:1.00
 O L:GLY47 2.4 42.7 1.0
OD2 L:ASP46 2.4 52.3 1.0
OD2 L:ASP63 2.5 43.9 1.0
O L:GLN64 2.6 35.8 1.0
OE1 L:GLN49 2.9 42.6 1.0
CG L:ASP46 3.3 51.5 1.0
CG L:ASP63 3.4 41.3 1.0
C L:GLY47 3.6 44.7 1.0
CB L:ASP46 3.6 50.4 1.0
OD1 L:ASP63 3.6 42.9 1.0
C L:GLN64 3.7 34.3 1.0
CD L:GLN49 3.8 43.6 1.0
C L:ASP46 4.0 47.7 1.0
NE2 L:GLN49 4.0 44.2 1.0
N L:GLY47 4.1 45.2 1.0
N L:GLN66 4.2 42.1 1.0
O L:ASP46 4.2 48.9 1.0
CA L:LEU65 4.3 40.5 1.0
OD1 L:ASP46 4.4 51.9 1.0
N L:GLN64 4.4 26.2 1.0
CA L:GLY47 4.5 44.6 1.0
CA L:ASP46 4.5 48.7 1.0
N L:LEU65 4.5 37.9 1.0
N L:ASP48 4.5 43.6 1.0
CA L:ASP48 4.6 42.1 1.0
CD2 L:LEU65 4.7 43.1 1.0
CB L:ASP63 4.7 35.9 1.0
C L:LEU65 4.8 42.0 1.0
CA L:GLN64 4.8 31.3 1.0
N L:GLN49 4.8 38.4 1.0
O L:SER67 5.0 30.7 1.0
O L:SER43 5.0 46.9 1.0

Calcium binding site 2 out of 9 in 2ec9

Go back to Calcium Binding Sites List in 2ec9
Calcium binding site 2 out of 9 in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1003

b:97.0
occ:1.00
 OE11 L:CGU7 3.4 66.5 1.0
OE12 L:CGU26 3.5 49.0 1.0
O L:HOH1080 4.3 36.7 0.6
CB L:ASN2 4.5 70.6 1.0
ND2 L:ASN2 4.6 64.7 1.0
CD1 L:CGU7 4.7 68.0 1.0
CG L:ASN2 4.7 68.6 1.0
CD1 L:CGU26 4.8 45.3 1.0

Calcium binding site 3 out of 9 in 2ec9

Go back to Calcium Binding Sites List in 2ec9
Calcium binding site 3 out of 9 in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1004

b:0.9
occ:1.00
 O L:ARG9 2.9 65.3 1.0
CD1 L:CGU16 3.5 50.1 1.0
O L:CGU6 3.6 58.4 1.0
OE12 L:CGU16 3.7 52.6 1.0
CD2 L:CGU16 3.7 48.5 1.0
OE12 L:CGU7 3.7 67.2 1.0
O L:CGU7 3.8 61.8 1.0
C L:ARG9 3.8 64.4 1.0
ND2 L:ASN2 4.1 64.7 1.0
CA L:CA1005 4.1 70.2 1.0
CG L:CGU16 4.1 50.8 1.0
CB L:ARG9 4.1 66.5 1.0
O L:PRO10 4.2 61.9 1.0
C L:PRO10 4.3 60.8 1.0
OE21 L:CGU16 4.4 47.4 1.0
C L:CGU7 4.4 62.8 1.0
CA L:CGU7 4.5 62.9 1.0
CA L:ARG9 4.5 64.5 1.0
N L:GLY11 4.5 58.1 1.0
OE11 L:CGU16 4.5 50.5 1.0
OE22 L:CGU16 4.5 48.0 1.0
CA L:GLY11 4.7 55.6 1.0
C L:CGU6 4.7 58.4 1.0
N L:PRO10 4.7 63.8 1.0
OE12 L:CGU6 4.7 64.7 1.0
N L:ARG9 4.8 63.8 1.0
CA L:PRO10 4.9 62.6 1.0

Calcium binding site 4 out of 9 in 2ec9

Go back to Calcium Binding Sites List in 2ec9
Calcium binding site 4 out of 9 in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1005

b:70.2
occ:1.00
 OE11 L:CGU16 2.6 50.5 1.0
OE22 L:CGU16 2.7 48.0 1.0
OE11 L:CGU26 2.7 46.2 1.0
OE21 L:CGU26 2.8 41.5 1.0
CD1 L:CGU16 2.9 50.1 1.0
CD2 L:CGU16 3.2 48.5 1.0
CG L:CGU16 3.4 50.8 1.0
CD2 L:CGU26 3.6 45.3 1.0
ND2 L:ASN2 3.6 64.7 1.0
CD1 L:CGU26 3.7 45.3 1.0
OE12 L:CGU26 3.7 49.0 1.0
CB L:CGU16 3.9 52.0 1.0
CA L:CA1004 4.1 0.9 1.0
O L:ALA1 4.1 77.5 1.0
OE12 L:CGU16 4.2 52.6 1.0
CG L:CGU26 4.2 45.8 1.0
CB L:ASN2 4.2 70.6 1.0
CG L:ASN2 4.4 68.6 1.0
C L:ALA1 4.5 76.8 1.0
OE21 L:CGU16 4.5 47.4 1.0
N L:ALA1 4.6 77.0 1.0
OE21 L:CGU29 4.8 64.1 1.0
OE22 L:CGU26 4.8 46.6 1.0
OE12 L:CGU7 4.8 67.2 1.0
N L:ASN2 4.9 74.8 1.0
CB L:CGU26 4.9 44.1 1.0
CA L:ASN2 4.9 72.1 1.0

Calcium binding site 5 out of 9 in 2ec9

Go back to Calcium Binding Sites List in 2ec9
Calcium binding site 5 out of 9 in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1006

b:68.8
occ:1.00
 CD2 L:CGU6 3.1 62.7 1.0
CG L:CGU6 3.4 63.0 1.0
CB L:CGU6 3.5 59.5 1.0
CD1 L:CGU6 3.5 65.7 1.0
OE22 L:CGU6 3.8 60.9 1.0
OE21 L:CGU20 4.0 61.7 1.0
OE21 L:CGU6 4.0 61.2 1.0
OE11 L:CGU6 4.4 65.4 1.0
OE12 L:CGU6 4.5 64.7 1.0
CD2 L:CGU20 4.8 61.2 1.0
OE12 L:CGU20 4.8 61.8 1.0
CA L:CGU6 5.0 57.4 1.0

Calcium binding site 6 out of 9 in 2ec9

Go back to Calcium Binding Sites List in 2ec9
Calcium binding site 6 out of 9 in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1007

b:84.1
occ:1.00
 OE12 L:CGU14 2.7 63.7 1.0
OE22 L:CGU14 2.8 66.4 1.0
CD1 L:CGU19 2.9 65.6 1.0
OE11 L:CGU14 2.9 65.3 1.0
OE21 L:CGU19 3.0 68.5 1.0
OE11 L:CGU19 3.2 65.0 1.0
CD1 L:CGU14 3.3 64.3 1.0
OE12 L:CGU19 3.7 64.3 1.0
CD2 L:CGU19 3.7 68.0 1.0
CG L:CGU19 3.8 66.4 1.0
OE22 L:CGU19 3.8 69.7 1.0
CG L:CGU14 3.8 64.2 1.0
CD2 L:CGU14 3.9 64.8 1.0
OE21 L:CGU14 4.7 68.1 1.0

Calcium binding site 7 out of 9 in 2ec9

Go back to Calcium Binding Sites List in 2ec9
Calcium binding site 7 out of 9 in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1008

b:97.2
occ:1.00
 OE22 L:CGU19 2.7 69.7 1.0
CD2 L:CGU19 3.1 68.0 1.0
CB L:CGU19 3.2 63.8 1.0
OE11 L:CGU20 3.4 61.8 1.0
CG L:CGU19 3.6 66.4 1.0
CD L:ARG15 4.0 65.2 1.0
CA L:CGU19 4.2 61.1 1.0
O L:ARG15 4.3 55.0 1.0
OE21 L:CGU19 4.4 68.5 1.0
C L:CGU19 4.4 61.2 1.0
NE L:ARG15 4.4 69.4 1.0
OE11 L:CGU19 4.5 65.0 1.0
N L:CGU20 4.6 60.1 1.0
CD1 L:CGU19 4.6 65.6 1.0
CD1 L:CGU20 4.8 61.6 1.0
O L:CGU19 5.0 61.9 1.0

Calcium binding site 8 out of 9 in 2ec9

Go back to Calcium Binding Sites List in 2ec9
Calcium binding site 8 out of 9 in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1009

b:68.1
occ:1.00
 O L:HOH1077 2.8 33.6 1.0
OE11 L:CGU29 3.1 63.9 1.0
OE22 L:CGU29 3.4 63.1 1.0
O L:HOH1063 3.7 45.3 1.0
OE12 L:CGU25 3.8 57.0 1.0
NH1 L:ARG28 4.3 44.2 1.0
CD1 L:CGU29 4.4 62.6 1.0
CD2 L:CGU29 4.5 63.3 1.0
NH2 L:ARG28 4.6 50.8 1.0
CG L:CGU29 4.6 63.4 1.0
OE22 L:CGU25 4.8 49.3 1.0
CZ L:ARG28 4.8 54.6 1.0

Calcium binding site 9 out of 9 in 2ec9

Go back to Calcium Binding Sites List in 2ec9
Calcium binding site 9 out of 9 in the Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure Analysis of Human Factor Viia , Souluble Tissue Factor Complexed with Bcx-3607 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca1001

b:60.3
occ:1.00
 OE2 H:GLU70 2.6 19.7 1.0
O H:GLU75 2.9 35.1 1.0
OE1 H:GLU70 3.0 23.8 1.0
ND1 H:HIS76 3.0 48.2 1.0
OE2 H:GLU80 3.0 32.5 1.0
CD H:GLU70 3.1 22.4 1.0
CE1 H:HIS76 3.2 48.5 1.0
O H:ASP72 3.4 18.6 1.0
C H:GLU75 3.7 36.3 1.0
CG H:HIS76 3.8 47.4 1.0
O H:LEU73 4.0 24.4 1.0
CD H:GLU80 4.0 35.2 1.0
NE2 H:HIS76 4.1 49.4 1.0
CA H:LEU73 4.1 21.2 1.0
CA H:HIS76 4.1 39.3 1.0
N H:HIS76 4.2 35.4 1.0
C H:LEU73 4.3 22.7 1.0
C H:ASP72 4.3 19.6 1.0
CD2 H:HIS76 4.4 46.4 1.0
CG H:GLU80 4.5 31.9 1.0
N H:GLU75 4.5 32.1 1.0
CB H:HIS76 4.5 41.3 1.0
CG H:GLU70 4.6 19.7 1.0
O H:HOH1010 4.6 18.1 1.0
CA H:GLU75 4.7 36.4 1.0
N H:LEU73 4.7 17.1 1.0

Reference:

R.Krishnan, P.L.Kotian, P.Chand, S.Bantia, S.Rowland, Y.S.Babu. Probing the S2 Site of Factor Viia to Generate Potent and Selective Inhibitors: the Structure of Bcx-3607 in Complex with Tissue Factor-Factor Viia. Acta Crystallogr.,Sect.D V. 63 689 2007.
ISSN: ISSN 0907-4449
PubMed: 17505107
DOI: 10.1107/S0907444907014187
Page generated: Sat Dec 12 03:36:14 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy