Atomistry » Calcium » PDB 1w7x-1wws » 1wv7
Atomistry »
  Calcium »
    PDB 1w7x-1wws »
      1wv7 »

Calcium in PDB 1wv7: Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine

Enzymatic activity of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine

All present enzymatic activity of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine:
3.4.21.21;

Protein crystallography data

The structure of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine, PDB code: 1wv7 was solved by S.Kadono, A.Sakamoto, Y.Kikuchi, M.Oh-Eda, N.Yabuta, K.Yoshihashi, T.Kitazawa, T.Suzuki, T.Koga, K.Hattori, T.Shiraishi, M.Haramura, H.Kodama, Y.Ono, T.Esaki, H.Sato, Y.Watanabe, S.Itoh, M.Ohta, T.Kozono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.98 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.340, 82.340, 123.560, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine (pdb code 1wv7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine, PDB code: 1wv7:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 1wv7

Go back to Calcium Binding Sites List in 1wv7
Calcium binding site 1 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1002

b:34.1
occ:1.00
 O L:GLN64 2.6 25.0 1.0
OD2 L:ASP46 2.6 34.0 1.0
O L:GLY47 2.7 32.4 1.0
OE1 L:GLN49 2.8 35.2 1.0
OD2 L:ASP63 2.8 30.3 1.0
OD1 L:ASP63 3.0 29.8 1.0
O L:HOH1108 3.1 30.9 1.0
CG L:ASP63 3.3 29.5 1.0
CG L:ASP46 3.5 35.6 1.0
C L:GLY47 3.6 30.7 1.0
CB L:ASP46 3.7 33.3 1.0
C L:GLN64 3.8 25.2 1.0
CD L:GLN49 3.9 33.8 1.0
N L:GLN66 4.0 30.4 1.0
N L:GLY47 4.2 29.1 1.0
CA L:ASP48 4.2 31.5 1.0
C L:ASP46 4.2 30.1 1.0
CA L:LEU65 4.2 28.7 1.0
N L:ASP48 4.2 30.2 1.0
N L:GLN49 4.2 31.8 1.0
N L:LEU65 4.5 26.4 1.0
CA L:GLY47 4.5 29.4 1.0
O L:ASP46 4.5 31.8 1.0
N L:GLN64 4.6 24.0 1.0
CA L:ASP46 4.6 30.0 1.0
OD1 L:ASP46 4.6 38.2 1.0
NE2 L:GLN49 4.6 33.1 1.0
C L:LEU65 4.7 29.6 1.0
C L:ASP48 4.8 31.4 1.0
CB L:ASP63 4.8 25.6 1.0
CA L:GLN64 4.8 24.9 1.0
CD2 L:LEU65 5.0 31.5 1.0

Calcium binding site 2 out of 9 in 1wv7

Go back to Calcium Binding Sites List in 1wv7
Calcium binding site 2 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1003

b:43.7
occ:1.00
 OE12 L:CGU7 2.7 33.8 1.0
OE22 L:CGU29 2.8 30.1 1.0
OE22 L:CGU7 2.8 32.6 1.0
OE21 L:CGU29 2.9 31.4 1.0
CD2 L:CGU29 3.2 32.3 1.0
OE12 L:CGU26 3.2 23.0 1.0
CD1 L:CGU7 3.4 32.4 1.0
OE11 L:CGU26 3.4 24.1 1.0
CD1 L:CGU26 3.6 25.0 1.0
CD2 L:CGU7 3.8 32.9 1.0
OE11 L:CGU7 3.9 30.5 1.0
CA L:CA1004 3.9 26.8 1.0
CG L:CGU7 4.2 31.9 1.0
OE11 L:CGU25 4.5 33.2 1.0
OD1 L:ASN2 4.6 30.9 1.0
CA L:CA1009 4.6 60.7 1.0
OE11 L:CGU29 4.6 33.0 1.0
CG L:CGU29 4.6 32.3 1.0
CB L:CGU7 4.8 29.4 1.0
OE21 L:CGU7 4.9 38.2 1.0
CG L:CGU26 4.9 26.1 1.0

Calcium binding site 3 out of 9 in 1wv7

Go back to Calcium Binding Sites List in 1wv7
Calcium binding site 3 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1004

b:26.8
occ:1.00
 O L:HOH1085 2.7 20.3 1.0
O L:HOH1084 2.7 12.1 1.0
OE11 L:CGU26 2.8 24.1 1.0
OE22 L:CGU29 2.9 30.1 1.0
OE12 L:CGU7 2.9 33.8 1.0
OE21 L:CGU16 2.9 26.5 1.0
O L:HOH1068 2.9 16.8 1.0
OE11 L:CGU7 3.0 30.5 1.0
CD1 L:CGU7 3.3 32.4 1.0
CD2 L:CGU16 3.8 26.2 1.0
CA L:CA1005 3.8 28.4 1.0
OE22 L:CGU16 3.9 25.1 1.0
CA L:CA1003 3.9 43.7 1.0
CD1 L:CGU26 4.0 25.0 1.0
CD2 L:CGU29 4.1 32.3 1.0
CB L:CGU29 4.5 31.5 1.0
OE12 L:CGU26 4.6 23.0 1.0
OE12 L:CGU6 4.7 24.0 1.0
CA L:GLY11 4.7 31.3 1.0
CG L:CGU7 4.8 31.9 1.0
CA L:CGU26 4.8 26.5 1.0
CB L:CGU26 4.8 26.2 1.0
CG L:CGU29 4.9 32.3 1.0
OE21 L:CGU29 5.0 31.4 1.0
O L:CGU26 5.0 27.9 1.0
CA L:CGU7 5.0 27.1 1.0
O L:ARG9 5.0 28.8 1.0

Calcium binding site 4 out of 9 in 1wv7

Go back to Calcium Binding Sites List in 1wv7
Calcium binding site 4 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1005

b:28.4
occ:1.00
 OE11 L:CGU7 2.6 30.5 1.0
OE21 L:CGU16 2.6 26.5 1.0
OE22 L:CGU26 2.7 26.1 1.0
OD1 L:ASN2 2.8 30.9 1.0
OE11 L:CGU16 2.8 28.7 1.0
OE11 L:CGU26 2.9 24.1 1.0
O L:ALA1 2.9 29.7 1.0
OE11 L:CGU6 3.0 26.3 1.0
CD1 L:CGU26 3.3 25.0 1.0
CD1 L:CGU16 3.6 27.5 1.0
CD2 L:CGU26 3.6 26.2 1.0
CD2 L:CGU16 3.7 26.2 1.0
C L:ALA1 3.7 29.5 1.0
CA L:CA1004 3.8 26.8 1.0
CG L:ASN2 3.8 29.3 1.0
OE12 L:CGU26 3.8 23.0 1.0
CD1 L:CGU6 3.8 25.9 1.0
CD1 L:CGU7 3.9 32.4 1.0
CG L:CGU26 3.9 26.1 1.0
OE12 L:CGU6 4.0 24.0 1.0
CA L:CA1006 4.1 40.9 1.0
CG L:CGU16 4.1 28.2 1.0
N L:ALA1 4.3 29.0 1.0
CA L:ASN2 4.3 29.7 1.0
OE12 L:CGU16 4.4 28.4 1.0
N L:ASN2 4.4 29.7 1.0
CB L:CGU26 4.4 26.2 1.0
CB L:CGU16 4.5 29.0 1.0
CB L:ASN2 4.6 29.5 1.0
OE12 L:CGU7 4.6 33.8 1.0
CA L:ALA1 4.6 29.3 1.0
OE21 L:CGU26 4.6 28.8 1.0
ND2 L:ASN2 4.7 31.0 1.0
OE22 L:CGU16 4.8 25.1 1.0
CG L:CGU7 4.8 31.9 1.0
O L:HOH1084 4.9 12.1 1.0

Calcium binding site 5 out of 9 in 1wv7

Go back to Calcium Binding Sites List in 1wv7
Calcium binding site 5 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1006

b:40.9
occ:1.00
 OE11 L:CGU6 2.8 26.3 1.0
OE11 L:CGU16 2.8 28.7 1.0
O L:ALA1 2.8 29.7 1.0
OE22 L:CGU20 2.8 40.7 1.0
OE22 L:CGU6 2.8 27.6 1.0
OE21 L:CGU20 2.9 41.5 1.0
CD2 L:CGU20 3.2 40.8 1.0
OE12 L:CGU16 3.2 28.4 1.0
CD2 L:CGU6 3.3 25.9 1.0
CD1 L:CGU6 3.4 25.9 1.0
CD1 L:CGU16 3.4 27.5 1.0
C L:ALA1 3.8 29.5 1.0
CG L:CGU6 3.9 26.2 1.0
OE21 L:CGU6 3.9 28.0 1.0
OE12 L:CGU6 4.1 24.0 1.0
CA L:CA1005 4.1 28.4 1.0
N L:ALA1 4.4 29.0 1.0
CB L:CGU6 4.5 26.2 1.0
O L:ARG15 4.5 26.1 1.0
N L:ASN2 4.6 29.7 1.0
CA L:ALA1 4.6 29.3 1.0
CA L:CA1008 4.7 54.3 1.0
CA L:ASN2 4.7 29.7 1.0
CG L:CGU20 4.7 40.6 1.0
CG L:CGU16 4.9 28.2 1.0
CB L:ALA1 5.0 27.6 1.0
NE L:ARG15 5.0 31.1 1.0

Calcium binding site 6 out of 9 in 1wv7

Go back to Calcium Binding Sites List in 1wv7
Calcium binding site 6 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1007

b:56.3
occ:1.00
 OE12 L:CGU19 2.7 38.1 1.0
OE21 L:CGU14 2.9 36.0 1.0
OE12 L:CGU14 2.9 33.5 1.0
OE21 L:CGU19 3.0 40.5 1.0
CD2 L:CGU19 3.4 39.2 1.0
CD2 L:CGU14 3.5 34.9 1.0
CD1 L:CGU19 3.5 38.5 1.0
CG L:CGU19 3.6 38.3 1.0
CD1 L:CGU14 3.8 32.5 1.0
CG L:CGU14 3.8 32.4 1.0
OE22 L:CGU19 4.2 40.1 1.0
O L:HOH1115 4.4 39.0 1.0
OE22 L:CGU14 4.4 37.4 1.0
OE11 L:CGU19 4.7 38.0 1.0
OE11 L:CGU14 5.0 32.5 1.0

Calcium binding site 7 out of 9 in 1wv7

Go back to Calcium Binding Sites List in 1wv7
Calcium binding site 7 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1008

b:54.3
occ:1.00
 OE21 L:CGU20 2.8 41.5 1.0
OE11 L:CGU20 2.8 41.8 1.0
CD2 L:CGU20 3.5 40.8 1.0
CD1 L:CGU20 3.6 41.3 1.0
CG L:CGU20 3.8 40.6 1.0
OE22 L:CGU20 4.5 40.7 1.0
CA L:CA1006 4.7 40.9 1.0
OE12 L:CGU20 4.7 40.6 1.0
O L:ARG15 4.7 26.1 1.0
CG L:ARG15 4.8 28.5 1.0
OE22 L:CGU6 4.9 27.6 1.0

Calcium binding site 8 out of 9 in 1wv7

Go back to Calcium Binding Sites List in 1wv7
Calcium binding site 8 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1009

b:60.7
occ:1.00
 OE21 L:CGU29 2.9 31.4 1.0
OE11 L:CGU25 3.0 33.2 1.0
OE22 L:CGU25 3.2 39.1 1.0
CD1 L:CGU25 3.3 32.4 1.0
CG L:CGU25 3.5 32.8 1.0
CD2 L:CGU25 3.6 36.4 1.0
CD2 L:CGU29 4.0 32.3 1.0
OE12 L:CGU25 4.1 30.4 1.0
NH2 L:ARG28 4.2 44.8 1.0
OE11 L:CGU29 4.3 33.0 1.0
CG L:CGU29 4.5 32.3 1.0
CA L:CA1003 4.6 43.7 1.0
CD1 L:CGU29 4.6 32.4 1.0
OE21 L:CGU25 4.7 39.7 1.0
CB L:CGU25 5.0 30.6 1.0

Calcium binding site 9 out of 9 in 1wv7

Go back to Calcium Binding Sites List in 1wv7
Calcium binding site 9 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-5-Propoxy-Trp-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca1001

b:46.2
occ:1.00
 O H:GLU75 2.6 24.9 1.0
OE1 H:GLU70 2.7 22.1 1.0
O H:ASP72 2.9 11.3 1.0
O H:HOH2090 2.9 37.5 1.0
OE2 H:GLU80 2.9 24.4 1.0
O H:HOH2084 2.9 28.0 1.0
OE2 H:GLU70 3.0 21.1 1.0
CD H:GLU80 3.1 22.9 1.0
CD H:GLU70 3.2 20.5 1.0
OE1 H:GLU80 3.5 25.7 1.0
C H:GLU75 3.6 24.0 1.0
C H:ASP72 3.7 12.5 1.0
CG H:GLU80 3.9 21.4 1.0
O H:HOH2002 4.1 14.2 1.0
N H:ASP72 4.2 14.0 1.0
CA H:HIS76 4.2 23.0 1.0
N H:HIS76 4.3 23.9 1.0
ND1 H:HIS76 4.4 25.8 1.0
N H:GLU75 4.5 20.2 1.0
CA H:ASP72 4.5 13.6 1.0
N H:LEU73 4.5 11.1 1.0
CA H:GLU75 4.6 23.7 1.0
CG H:GLU70 4.6 21.4 1.0
N H:HIS71 4.6 13.6 1.0
CA H:LEU73 4.6 10.4 1.0
N H:ASP77 4.8 20.1 1.0
C H:LEU73 4.9 12.4 1.0
CB H:ASP72 4.9 15.6 1.0

Reference:

S.Kadono, A.Sakamoto, Y.Kikuchi, M.Oh-Eda, N.Yabuta, K.Yoshihashi, T.Kitazawa, T.Suzuki, T.Koga, K.Hattori, T.Shiraishi, M.Haramura, H.Kodama, Y.Ono, T.Esaki, H.Sato, Y.Watanabe, S.Itoh, M.Ohta, T.Kozono. Structure-Based Design of P3 Moieties in the Peptide Mimetic Factor Viia Inhibitor Biochem.Biophys.Res.Commun. V. 327 589 2005.
ISSN: ISSN 0006-291X
PubMed: 15629154
DOI: 10.1016/J.BBRC.2004.12.042
Page generated: Fri Jul 12 07:20:42 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy