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Chlorine in PDB 2b8o: Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex

Enzymatic activity of Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex

All present enzymatic activity of Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex, PDB code: 2b8o was solved by S.P.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) 8.00 / 2.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.280, 81.110, 126.860, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 28.5

Other elements in 2b8o:

The structure of Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex (pdb code 2b8o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex, PDB code: 2b8o:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2b8o

Go back to Chlorine Binding Sites List in 2b8o
Chlorine binding site 1 out of 3 in the Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl514

b:49.8
occ:1.00
 CB H:0GJ1 2.9 34.0 1.0
O H:GLY219 3.1 15.4 1.0
OE2 H:0GJ1 3.1 32.9 1.0
O H:GLY216 3.1 15.7 1.0
CD H:0GJ1 3.1 34.3 1.0
N H:0GJ1 3.3 33.0 1.0
O H:0GJ1 3.3 27.2 1.0
CA H:0GJ1 3.4 32.6 1.0
NE H:0GJ1 3.5 25.8 1.0
OE1 H:0GJ1 3.6 34.1 1.0
CG H:0GJ1 3.6 33.6 1.0
N H:GLY219 3.7 18.3 1.0
C H:GLY219 3.7 15.3 1.0
C H:0GJ1 3.8 28.9 1.0
CA H:GLY219 3.9 14.5 1.0
CG1 H:0GJ1 4.0 27.9 1.0
SG H:CYS220 4.1 19.0 1.0
NH1 H:0GJ1 4.1 23.0 1.0
C H:GLY216 4.3 14.6 1.0
CZ H:0GJ1 4.3 27.3 1.0
CD1 H:0GJ1 4.4 24.5 1.0
C H:GLN217 4.5 16.9 1.0
O1 H:0GJ1 4.6 30.0 1.0
N H:CYS220 4.7 15.9 1.0
O H:HOH606 4.8 19.6 1.0
OD1 H:ASP146 4.9 29.2 1.0
CA H:GLN217 4.9 15.9 1.0

Chlorine binding site 2 out of 3 in 2b8o

Go back to Chlorine Binding Sites List in 2b8o
Chlorine binding site 2 out of 3 in the Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl515

b:27.8
occ:1.00
 CD2 H:HIS109 3.1 26.7 1.0
CB H:GLN110 3.2 21.2 1.0
O H:HOH582 3.2 20.9 1.0
CG H:GLN110 3.4 23.3 1.0
N H:GLN110 3.5 19.5 1.0
CD H:ARG83 3.6 3.3 1.0
N H:ARG84 3.6 6.8 1.0
CG H:HIS109 3.7 25.7 1.0
CG H:ARG84 3.9 27.9 1.0
NE2 H:HIS109 3.9 24.4 1.0
CB H:HIS109 3.9 24.5 1.0
CA H:GLN110 3.9 19.2 1.0
CA H:ARG83 4.0 3.6 1.0
CB H:ARG83 4.3 5.9 1.0
C H:ARG83 4.3 6.0 1.0
C H:HIS109 4.4 21.2 1.0
O H:GLN110 4.5 21.0 1.0
CD H:ARG84 4.5 41.9 1.0
NE H:ARG84 4.5 45.5 1.0
NE H:ARG83 4.6 2.0 1.0
CG H:ARG83 4.6 4.6 1.0
C H:GLN110 4.6 16.7 1.0
CA H:HIS109 4.6 20.7 1.0
CA H:ARG84 4.7 9.8 1.0
ND1 H:HIS109 4.7 26.3 1.0
O H:ARG84 4.8 3.6 1.0
CE1 H:HIS109 4.8 26.1 1.0
CD H:GLN110 4.8 24.9 1.0
CB H:ARG84 4.9 20.4 1.0

Chlorine binding site 3 out of 3 in 2b8o

Go back to Chlorine Binding Sites List in 2b8o
Chlorine binding site 3 out of 3 in the Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor Viia/Soluble Tissue Factor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl516

b:23.6
occ:1.00
 OH T:TYR153 2.5 2.1 1.0
N T:GLU130 3.2 17.2 1.0
CE2 T:TYR153 3.3 2.0 1.0
CZ T:TYR153 3.3 3.3 1.0
ND2 T:ASN173 3.5 21.5 1.0
OD1 T:ASN173 3.7 13.7 1.0
CA T:ASP129 3.8 14.2 1.0
C T:ASP129 4.0 15.5 1.0
CG T:ASN173 4.0 17.2 1.0
CB T:GLU130 4.0 16.0 1.0
CA T:GLU130 4.1 19.0 1.0
OD1 T:ASP129 4.2 23.8 1.0
N T:ARG144 4.2 9.0 1.0
N T:LEU143 4.2 8.3 1.0
CB T:ARG144 4.3 10.1 1.0
CB T:SER142 4.3 17.4 1.0
O T:GLU130 4.4 23.8 1.0
CD2 T:LEU151 4.4 2.0 1.0
O T:GLU128 4.5 3.1 1.0
CB T:LEU143 4.5 5.5 1.0
CB T:ASP129 4.6 14.8 1.0
CE1 T:TYR153 4.6 5.1 1.0
CD2 T:TYR153 4.7 4.3 1.0
C T:GLU130 4.7 20.4 1.0
CA T:LEU143 4.7 5.0 1.0
C T:LEU143 4.7 4.8 1.0
CG T:GLU130 4.8 16.9 1.0
CG T:ASP129 4.8 20.4 1.0
CA T:ARG144 4.9 10.0 1.0
N T:ASP129 4.9 10.9 1.0

Reference:

S.P.Bajaj, A.E.Schmidt, K.Padmanabhan. Crystal Structure of Factor Viia/Soluble Tissue Factor Complexed with Glu-Gly-Arg-Chloromethyl Ketone To Be Published.
Page generated: Sat Dec 12 08:59:48 2020

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