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Chlorine in PDB 2a2q: Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+

Enzymatic activity of Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+

All present enzymatic activity of Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+:
3.4.21.21;

Protein crystallography data

The structure of Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+, PDB code: 2a2q was solved by S.P.Bajaj, M.Bajaj, A.E.Schmidt, K.Padmanabhan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 90.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.720, 81.000, 126.120, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 25.9

Other elements in 2a2q:

The structure of Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+ also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms
Zinc (Zn) 2 atoms
Calcium (Ca) 6 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+ (pdb code 2a2q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+, PDB code: 2a2q:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2a2q

Go back to Chlorine Binding Sites List in 2a2q
Chlorine binding site 1 out of 3 in the Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1013

b:45.4
occ:1.00
 O H:HOH1338 3.2 37.6 1.0
CD H:LYS192 3.4 24.8 1.0
CG H:LYS192 3.5 21.7 1.0
O H:GLY219 3.5 11.8 1.0
C2 H:PBZ1016 3.5 9.9 1.0
CA H:GLY219 3.6 12.7 1.0
C3 H:PBZ1016 3.7 10.4 1.0
C H:GLY219 3.7 11.8 1.0
N H:GLY219 3.7 12.3 1.0
SG H:CYS220 4.0 16.6 1.0
O H:HOH1319 4.2 39.9 1.0
O H:GLY216 4.3 12.6 1.0
O H:HOH1181 4.7 17.6 1.0
N H:CYS220 4.7 11.9 1.0
CB H:LYS192 4.7 16.4 1.0
C1 H:PBZ1016 4.7 9.7 1.0
CE H:LYS192 4.8 27.9 1.0
OD1 H:ASP146 4.8 17.6 1.0
C H:GLN217 4.9 12.6 1.0
N H:LYS192 5.0 12.5 1.0

Chlorine binding site 2 out of 3 in 2a2q

Go back to Chlorine Binding Sites List in 2a2q
Chlorine binding site 2 out of 3 in the Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1014

b:17.9
occ:1.00
 N H:ARG84 3.1 12.0 1.0
CB H:HIS109 3.6 14.5 1.0
CD2 H:HIS109 3.7 18.7 1.0
O H:HOH1280 3.7 21.9 1.0
CA H:ARG83 3.7 10.2 1.0
CD H:ARG83 3.8 7.5 1.0
CG H:GLN110 3.9 13.4 1.0
N H:GLN110 3.9 11.9 1.0
CG H:ARG84 3.9 17.8 1.0
CB H:ARG84 3.9 14.2 1.0
C H:ARG83 3.9 10.9 1.0
CG H:HIS109 4.0 17.8 1.0
CB H:GLN110 4.0 12.8 1.0
CA H:ARG84 4.1 12.1 1.0
CB H:ARG83 4.1 10.2 1.0
CA H:HIS109 4.5 12.7 1.0
C H:HIS109 4.5 12.3 1.0
NE H:ARG84 4.5 28.4 1.0
O H:ARG84 4.6 10.6 1.0
CA H:GLN110 4.6 11.8 1.0
CG H:ARG83 4.6 8.8 1.0
N H:HIS109 4.7 11.8 1.0
CD H:ARG84 4.8 23.1 1.0
O H:SER82 4.8 10.3 1.0
C H:ARG84 4.9 10.7 1.0
NE H:ARG83 4.9 6.7 1.0
O H:GLN110 5.0 10.4 1.0
N H:ARG83 5.0 10.3 1.0

Chlorine binding site 3 out of 3 in 2a2q

Go back to Chlorine Binding Sites List in 2a2q
Chlorine binding site 3 out of 3 in the Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Complex of Active-Site Inhibited Human Coagulation Factor Viia with Human Soluble Tissue Factor in the Presence of CA2+, MG2+, Na+, and ZN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl1015

b:14.0
occ:1.00
 OH T:TYR153 3.0 10.1 1.0
N T:GLU130 3.1 13.6 1.0
N T:ARG144 3.4 12.9 1.0
ND2 T:ASN173 3.5 10.6 1.0
O T:HOH1140 3.6 27.2 1.0
N T:LEU143 3.7 12.5 1.0
CA T:ASP129 3.8 15.1 1.0
CB T:SER142 3.9 12.8 1.0
CB T:ARG144 3.9 13.4 1.0
CB T:LEU143 3.9 12.6 1.0
C T:ASP129 3.9 14.4 1.0
CZ T:TYR153 4.0 9.9 1.0
O T:GLU130 4.0 14.5 1.0
CE2 T:TYR153 4.0 10.6 1.0
OG T:SER142 4.0 12.3 1.0
CB T:GLU130 4.1 15.1 1.0
CA T:GLU130 4.1 14.8 1.0
OD1 T:ASN173 4.1 12.7 1.0
CA T:LEU143 4.2 12.6 1.0
CG T:ASN173 4.2 11.4 1.0
CA T:ARG144 4.3 12.8 1.0
C T:LEU143 4.3 12.4 1.0
CD2 T:LEU151 4.4 8.8 1.0
CB T:ASP129 4.4 16.8 1.0
C T:GLU130 4.5 15.0 1.0
C T:SER142 4.5 12.9 1.0
OD1 T:ASP129 4.5 21.0 1.0
O T:GLU128 4.7 14.1 1.0
CA T:SER142 4.7 13.2 1.0
CG T:GLU130 4.7 15.9 1.0
O T:HOH1153 4.9 29.9 1.0
CG T:ASP129 4.9 19.4 1.0
N T:ASP129 5.0 14.7 1.0
CG T:LEU143 5.0 14.6 1.0

Reference:

S.P.Bajaj, A.E.Schmidt, S.Agah, M.S.Bajaj, K.Padmanabhan. High Resolution Structures of P-Aminobenzamidine- and Benzamidine-Viia/Soluble Tissue Factor: Unpredicted Conformation of the 192-193 Peptide Bond and Mapping of CA2+, MG2+, Na+, and ZN2+ Sites in Factor Viia. J.Biol.Chem. V. 281 24873 2006.
ISSN: ISSN 0021-9258
PubMed: 16757484
DOI: 10.1074/JBC.M509971200
Page generated: Thu Jul 10 21:04:00 2025

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