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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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