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

Calcium in PDB 1wtg: Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-Gln-P-Aminobenzamidine

Enzymatic activity of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-Gln-P-Aminobenzamidine

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

Protein crystallography data

The structure of Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-Gln-P-Aminobenzamidine, PDB code: 1wtg was solved by S.Kadono, S.Sakamoto, Y.Kikuchi, M.Oh-Eda, N.Yabuta, K.Kitazawa, T.Yoshihashi, T.Suzuki, T.Koga, K.Hattori, T.Shiraishi, M.Kodama, H.Haramura, 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) 19.96 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.280, 82.320, 123.380, 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-Biphenylalanine-Gln-P-Aminobenzamidine (pdb code 1wtg). 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-Biphenylalanine-Gln-P-Aminobenzamidine, PDB code: 1wtg:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 1wtg

Go back to Calcium Binding Sites List in 1wtg
Calcium binding site 1 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-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-Biphenylalanine-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1002

b:29.3
occ:1.00
 OD2 L:ASP46 2.7 26.0 1.0
OD2 L:ASP63 2.7 25.6 1.0
OE1 L:GLN49 2.7 23.6 1.0
O L:GLN64 2.7 21.7 1.0
O L:GLY47 2.7 26.7 1.0
OD1 L:ASP63 2.8 24.0 1.0
O T:HOH302 3.0 31.9 1.0
CG L:ASP63 3.1 24.2 1.0
O L:HOH1176 3.3 47.3 1.0
C L:GLN64 3.6 21.5 1.0
CG L:ASP46 3.7 27.3 1.0
C L:GLY47 3.8 27.2 1.0
CD L:GLN49 3.8 25.7 1.0
CB L:ASP46 4.0 26.3 1.0
CA L:ASP48 4.1 26.6 1.0
N L:GLN49 4.2 25.6 1.0
N L:GLN64 4.2 20.7 1.0
NE2 L:GLN49 4.3 23.6 1.0
N L:GLN66 4.3 26.6 1.0
CA L:LEU65 4.4 25.2 1.0
N L:LEU65 4.4 22.7 1.0
N L:ASP48 4.4 26.9 1.0
CB L:ASP63 4.5 21.7 1.0
C L:ASP46 4.6 25.7 1.0
CA L:GLN64 4.6 21.8 1.0
N L:GLY47 4.6 25.3 1.0
O L:ASP46 4.7 28.1 1.0
O L:SER67 4.7 25.6 1.0
C L:ASP48 4.7 26.4 1.0
OD1 L:ASP46 4.8 28.8 1.0
C L:LEU65 4.8 26.1 1.0
CA L:GLY47 4.9 25.2 1.0
C L:ASP63 4.9 21.4 1.0
CA L:ASP46 5.0 26.0 1.0
CG L:GLN49 5.0 23.6 1.0

Calcium binding site 2 out of 9 in 1wtg

Go back to Calcium Binding Sites List in 1wtg
Calcium binding site 2 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-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-Biphenylalanine-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1003

b:27.7
occ:1.00
 OE21 L:CGU29 2.6 22.1 1.0
OE12 L:CGU7 2.6 21.8 1.0
OE22 L:CGU7 2.6 24.5 1.0
OE12 L:CGU26 2.9 21.7 1.0
OE22 L:CGU29 3.0 23.6 1.0
CD2 L:CGU29 3.1 22.9 1.0
CD1 L:CGU7 3.2 22.4 1.0
OE11 L:CGU26 3.5 19.1 1.0
CD1 L:CGU26 3.6 20.6 1.0
CD2 L:CGU7 3.6 23.0 1.0
OE11 L:CGU7 3.8 22.8 1.0
CA L:CA1004 4.0 25.2 1.0
CG L:CGU7 4.0 22.2 1.0
OD1 L:ASN2 4.4 23.3 1.0
CA L:CA1009 4.5 35.4 1.0
O L:HOH1178 4.5 45.3 1.0
OE11 L:CGU25 4.6 34.5 1.0
CG L:CGU29 4.6 23.8 1.0
CB L:CGU7 4.7 18.1 1.0
OE21 L:CGU7 4.7 22.2 1.0
O L:HOH1096 4.8 21.8 1.0
OE11 L:CGU29 4.8 26.5 1.0
ND2 L:ASN2 4.8 23.9 1.0
O L:HOH1085 4.9 15.5 1.0
CG L:ASN2 5.0 24.5 1.0
CG L:CGU26 5.0 19.2 1.0

Calcium binding site 3 out of 9 in 1wtg

Go back to Calcium Binding Sites List in 1wtg
Calcium binding site 3 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-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-Biphenylalanine-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1004

b:25.2
occ:1.00
 O L:HOH1084 2.7 12.1 1.0
OE11 L:CGU26 2.7 19.1 1.0
OE22 L:CGU29 2.7 23.6 1.0
O L:HOH1085 2.7 15.5 1.0
O L:HOH1066 2.7 11.9 1.0
OE11 L:CGU7 2.8 22.8 1.0
OE21 L:CGU16 2.8 18.8 1.0
OE12 L:CGU7 2.9 21.8 1.0
CD1 L:CGU7 3.2 22.4 1.0
CD2 L:CGU16 3.7 18.9 1.0
OE22 L:CGU16 3.7 19.9 1.0
CA L:CA1005 3.8 25.1 1.0
CD1 L:CGU26 3.9 20.6 1.0
CD2 L:CGU29 3.9 22.9 1.0
CA L:CA1003 4.0 27.7 1.0
CB L:CGU29 4.4 21.8 1.0
O L:HOH1178 4.5 45.3 1.0
OE12 L:CGU26 4.5 21.7 1.0
CA L:GLY11 4.6 20.1 1.0
CA L:CGU26 4.6 18.5 1.0
OE21 L:CGU29 4.6 22.1 1.0
OE12 L:CGU6 4.7 16.2 1.0
O L:CGU26 4.7 19.0 1.0
CG L:CGU7 4.7 22.2 1.0
CB L:CGU26 4.7 17.6 1.0
CG L:CGU29 4.8 23.8 1.0
CG L:CGU26 4.9 19.2 1.0
OD1 L:ASN2 4.9 23.3 1.0

Calcium binding site 4 out of 9 in 1wtg

Go back to Calcium Binding Sites List in 1wtg
Calcium binding site 4 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-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-Biphenylalanine-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1005

b:25.1
occ:1.00
 OE11 L:CGU7 2.6 22.8 1.0
OE22 L:CGU26 2.6 18.1 1.0
OE11 L:CGU16 2.6 20.9 1.0
OE21 L:CGU16 2.7 18.8 1.0
OD1 L:ASN2 2.7 23.3 1.0
OE11 L:CGU6 2.7 14.6 1.0
OE11 L:CGU26 2.8 19.1 1.0
O L:ALA1 2.9 20.5 1.0
CD1 L:CGU16 3.4 20.0 1.0
OE12 L:CGU6 3.4 16.2 1.0
CD1 L:CGU6 3.4 17.1 1.0
CD1 L:CGU26 3.5 20.6 1.0
CA L:CA1006 3.7 27.0 1.0
CD2 L:CGU26 3.7 19.4 1.0
CD2 L:CGU16 3.7 18.9 1.0
CG L:ASN2 3.8 24.5 1.0
CD1 L:CGU7 3.8 22.4 1.0
C L:ALA1 3.8 22.2 1.0
CA L:CA1004 3.8 25.2 1.0
OE12 L:CGU16 4.1 20.9 1.0
CG L:CGU26 4.1 19.2 1.0
CG L:CGU16 4.2 19.8 1.0
OE12 L:CGU26 4.2 21.7 1.0
CA L:ASN2 4.3 24.9 1.0
O L:HOH1084 4.4 12.1 1.0
N L:ASN2 4.4 22.9 1.0
N L:ALA1 4.4 21.4 1.0
CB L:ASN2 4.6 23.4 1.0
CG L:CGU7 4.6 22.2 1.0
ND2 L:ASN2 4.6 23.9 1.0
OE12 L:CGU7 4.6 21.8 1.0
CB L:CGU26 4.7 17.6 1.0
CB L:CGU16 4.7 20.3 1.0
OE21 L:CGU26 4.7 23.2 1.0
CA L:ALA1 4.8 21.8 1.0
OE22 L:CGU16 4.8 19.9 1.0
CG L:CGU6 4.9 19.0 1.0

Calcium binding site 5 out of 9 in 1wtg

Go back to Calcium Binding Sites List in 1wtg
Calcium binding site 5 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-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-Biphenylalanine-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1006

b:27.0
occ:1.00
 OE22 L:CGU6 2.5 19.4 1.0
O L:ALA1 2.6 20.5 1.0
OE11 L:CGU6 2.7 14.6 1.0
OE21 L:CGU20 2.7 23.4 1.0
OE11 L:CGU16 2.7 20.9 1.0
OE22 L:CGU20 2.7 25.5 1.0
O L:HOH1112 2.8 25.6 1.0
OE12 L:CGU16 2.9 20.9 1.0
CD2 L:CGU20 3.1 25.7 1.0
CD1 L:CGU16 3.2 20.0 1.0
CD1 L:CGU6 3.2 17.1 1.0
CD2 L:CGU6 3.6 20.2 1.0
CA L:CA1005 3.7 25.1 1.0
C L:ALA1 3.7 22.2 1.0
OE12 L:CGU6 3.8 16.2 1.0
CG L:CGU6 3.9 19.0 1.0
O L:HOH1148 4.2 40.4 1.0
N L:ALA1 4.4 21.4 1.0
O L:ARG15 4.5 21.4 1.0
CB L:CGU6 4.6 18.7 1.0
CA L:ALA1 4.6 21.8 1.0
N L:ASN2 4.6 22.9 1.0
CG L:CGU20 4.6 26.1 1.0
CA L:ASN2 4.6 24.9 1.0
CG L:CGU16 4.7 19.8 1.0
OE21 L:CGU6 4.7 21.0 1.0
NE L:ARG15 4.8 19.3 1.0
N L:ALA3 4.8 25.6 1.0
OE21 L:CGU16 4.9 18.8 1.0
OE22 L:CGU26 4.9 18.1 1.0
CA L:CA1008 4.9 34.3 1.0
CB L:ALA1 4.9 19.3 1.0
CG L:ARG15 5.0 22.3 1.0

Calcium binding site 6 out of 9 in 1wtg

Go back to Calcium Binding Sites List in 1wtg
Calcium binding site 6 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-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-Biphenylalanine-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1007

b:49.8
occ:1.00
 OE12 L:CGU19 2.8 34.2 1.0
OE21 L:CGU14 2.8 28.9 1.0
OE12 L:CGU14 2.8 30.4 1.0
OE21 L:CGU19 3.0 32.5 1.0
O L:HOH1151 3.2 57.5 1.0
CD2 L:CGU19 3.5 32.8 1.0
CD2 L:CGU14 3.5 27.7 1.0
CD1 L:CGU19 3.6 32.7 1.0
CD1 L:CGU14 3.6 29.5 1.0
CG L:CGU14 3.6 27.3 1.0
CG L:CGU19 3.6 32.0 1.0
OE22 L:CGU19 4.4 36.2 1.0
OE22 L:CGU14 4.6 27.9 1.0
OE11 L:CGU14 4.8 31.7 1.0
OE11 L:CGU19 4.8 33.0 1.0

Calcium binding site 7 out of 9 in 1wtg

Go back to Calcium Binding Sites List in 1wtg
Calcium binding site 7 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-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-Biphenylalanine-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1008

b:34.3
occ:1.00
 OE21 L:CGU20 2.7 23.4 1.0
O L:HOH1147 2.8 31.2 1.0
OE11 L:CGU20 2.8 28.6 1.0
O L:HOH1135 2.9 33.4 1.0
O L:HOH1148 2.9 40.4 1.0
CD1 L:CGU20 3.5 26.9 1.0
CD2 L:CGU20 3.5 25.7 1.0
CG L:CGU20 3.6 26.1 1.0
O L:ARG15 4.4 21.4 1.0
OE12 L:CGU20 4.5 28.9 1.0
OE22 L:CGU20 4.6 25.5 1.0
CG L:ARG15 4.7 22.3 1.0
OE22 L:CGU6 4.7 19.4 1.0
OE22 L:CGU19 4.8 36.2 1.0
CA L:CA1006 4.9 27.0 1.0
O L:HOH1112 4.9 25.6 1.0

Calcium binding site 8 out of 9 in 1wtg

Go back to Calcium Binding Sites List in 1wtg
Calcium binding site 8 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-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-Biphenylalanine-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1009

b:35.4
occ:1.00
 OE21 L:CGU29 2.7 22.1 1.0
OE11 L:CGU29 2.9 26.5 1.0
OE11 L:CGU25 2.9 34.5 1.0
O L:HOH1164 2.9 43.5 1.0
OE22 L:CGU25 3.0 36.5 1.0
CG L:CGU25 3.4 31.6 1.0
CD1 L:CGU25 3.4 33.1 1.0
CD2 L:CGU25 3.5 34.4 1.0
CD2 L:CGU29 3.7 22.9 1.0
NH2 L:ARG28 3.8 37.3 1.0
CD1 L:CGU29 3.8 24.8 1.0
O L:HOH1159 4.0 46.7 1.0
CG L:CGU29 4.0 23.8 1.0
CA L:CA1003 4.5 27.7 1.0
OE12 L:CGU25 4.5 34.4 1.0
OE21 L:CGU25 4.5 37.8 1.0
OE22 L:CGU29 4.8 23.6 1.0
CB L:CGU25 4.8 25.8 1.0
OE12 L:CGU29 4.9 27.5 1.0
CZ L:ARG28 5.0 37.3 1.0

Calcium binding site 9 out of 9 in 1wtg

Go back to Calcium Binding Sites List in 1wtg
Calcium binding site 9 out of 9 in the Human Factor Viia-Tissue Factor Complexed with Ethylsulfonamide-D-Biphenylalanine-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-Biphenylalanine-Gln-P-Aminobenzamidine within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca1001

b:21.2
occ:1.00
 O H:GLU75 2.5 17.5 1.0
OE1 H:GLU80 2.5 14.1 1.0
O H:ASP72 2.6 9.8 1.0
OE1 H:GLU70 2.6 11.1 1.0
O H:HOH2100 2.7 17.5 1.0
O H:HOH2114 2.8 14.4 1.0
OE2 H:GLU70 2.8 15.7 1.0
CD H:GLU70 3.1 13.4 1.0
CD H:GLU80 3.3 10.1 1.0
C H:ASP72 3.6 9.0 1.0
C H:GLU75 3.6 17.4 1.0
OE2 H:GLU80 3.9 9.2 1.0
CA H:HIS76 4.1 13.6 1.0
CG H:GLU80 4.2 10.4 1.0
N H:ASP72 4.2 7.8 1.0
N H:HIS76 4.3 16.2 1.0
O H:HOH2002 4.3 1.4 1.0
N H:LEU73 4.4 9.4 1.0
CA H:LEU73 4.4 9.6 1.0
CA H:ASP72 4.5 9.2 1.0
ND1 H:HIS76 4.5 14.5 1.0
N H:GLU75 4.5 15.8 1.0
CG H:GLU70 4.5 12.8 1.0
N H:HIS71 4.7 5.8 1.0
CA H:GLU75 4.7 17.4 1.0
O H:HOH2132 4.7 23.4 1.0
C H:LEU73 4.8 11.8 1.0
O H:HOH2225 4.8 40.8 1.0
N H:ASP77 4.9 11.3 1.0
CB H:ASP72 4.9 10.1 1.0
O H:HOH2193 4.9 35.2 1.0
C H:HIS76 5.0 13.5 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. Novel Interactions of Large P3 Moiety and Small P4 Moiety in the Binding of the Peptide Mimetic Factor Viia Inhibitor Biochem.Biophys.Res.Commun. V. 326 859 2005.
ISSN: ISSN 0006-291X
PubMed: 15607748
DOI: 10.1016/J.BBRC.2004.11.108
Page generated: Fri Jul 12 07:18:22 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