Atomistry » Chlorine » PDB 2oui-2p5v » 2p3u
Atomistry »
  Chlorine »
    PDB 2oui-2p5v »
      2p3u »

Chlorine in PDB 2p3u: Crystal Structure of Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663}

Enzymatic activity of Crystal Structure of Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663}

All present enzymatic activity of Crystal Structure of Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663}:
3.4.21.6;

Protein crystallography data

The structure of Crystal Structure of Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663}, PDB code: 2p3u was solved by M.Adler, M.Whitlow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.80 / 1.62
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.014, 71.717, 78.651, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 22.7

Other elements in 2p3u:

The structure of Crystal Structure of Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663} also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663} (pdb code 2p3u). 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 Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663}, PDB code: 2p3u:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2p3u

Go back to Chlorine Binding Sites List in 2p3u
Chlorine binding site 1 out of 3 in the Crystal Structure of Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663}


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 Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663} within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl500

b:28.1
occ:1.00
 CL3 B:663500 0.0 28.1 1.0
C26 B:663500 1.7 28.4 1.0
C25 B:663500 2.8 28.7 1.0
C22 B:663500 2.8 30.0 1.0
N19 B:663500 3.0 26.1 1.0
C28 B:663500 3.2 31.9 1.0
C20 B:663500 3.4 27.9 1.0
O B:HOH786 3.4 35.8 1.0
CB B:TRP215 3.8 18.8 1.0
O10 B:663500 3.8 25.5 1.0
OH B:TYR99 3.9 28.9 1.0
CE2 B:TYR99 3.9 25.9 1.0
C24 B:663500 4.0 30.2 1.0
CZ B:TYR99 4.0 27.2 1.0
S23 B:663500 4.2 27.5 1.0
C12 B:663500 4.2 26.9 1.0
O B:HOH915 4.4 63.9 1.0
C29 B:663500 4.6 34.7 1.0
CA B:TRP215 4.6 20.5 1.0
O21 B:663500 4.6 29.1 1.0
C9 B:663500 4.7 23.1 1.0
CD2 B:TYR99 4.7 25.9 1.0
O B:GLY216 4.8 25.5 1.0
CG B:TRP215 4.8 21.1 1.0
N B:GLY216 4.8 22.7 1.0
CE1 B:TYR99 4.9 27.1 1.0
C11 B:663500 4.9 24.3 1.0
O B:HOH667 4.9 39.5 1.0

Chlorine binding site 2 out of 3 in 2p3u

Go back to Chlorine Binding Sites List in 2p3u
Chlorine binding site 2 out of 3 in the Crystal Structure of Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663}


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 Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663} within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl500

b:28.6
occ:1.00
 CL2 B:663500 0.0 28.6 1.0
C15 B:663500 1.7 28.7 1.0
C16 B:663500 2.7 24.8 1.0
C14 B:663500 2.7 28.9 1.0
O B:GLU146 3.2 31.1 1.0
CG B:GLU146 3.8 30.0 1.0
NH1 B:ARG143 3.8 38.0 1.0
OE1 B:GLN192 3.8 42.2 1.0
O B:HOH976 3.8 50.0 1.0
SG B:CYS220 3.9 27.5 1.0
CB B:GLN192 3.9 26.7 1.0
C11 B:663500 4.0 24.3 1.0
C13 B:663500 4.0 30.9 1.0
C B:GLU146 4.1 31.6 1.0
SG B:CYS191 4.1 25.0 1.0
CZ B:ARG143 4.2 38.1 1.0
O B:HOH938 4.2 62.2 1.0
CD B:ARG143 4.3 33.5 1.0
CA B:GLU146 4.3 30.0 1.0
CD B:GLN192 4.4 40.3 1.0
NE B:ARG143 4.4 36.0 1.0
C12 B:663500 4.6 26.9 1.0
CB B:GLU146 4.6 29.7 1.0
N B:GLN192 4.7 23.0 1.0
CG B:GLN192 4.8 33.8 1.0
CD B:GLU146 4.9 33.1 1.0
CA B:GLN192 5.0 25.0 1.0

Chlorine binding site 3 out of 3 in 2p3u

Go back to Chlorine Binding Sites List in 2p3u
Chlorine binding site 3 out of 3 in the Crystal Structure of Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663}


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 Human Factor Xa Complexed with 3- Chloro-N-(4-Chloro-2-{[(5-Chloropyridin-2-Yl) Amino]Carbonyl}-6-Methoxyphenyl)-4-[(1-Methyl-1H-Imidazol- 2-Yl)Methyl]Thiophene-2-Carboxamide {Pfizer 320663} within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl500

b:19.9
occ:1.00
 CL1 B:663500 0.0 19.9 1.0
C4 B:663500 1.7 22.1 1.0
C3 B:663500 2.7 21.9 1.0
C5 B:663500 2.7 20.6 1.0
CZ B:TYR228 3.5 20.1 1.0
O B:ILE227 3.6 17.0 1.0
N B:ILE227 3.6 17.1 1.0
CA B:GLY226 3.6 20.4 1.0
CE1 B:TYR228 3.7 17.3 1.0
CG1 B:VAL213 3.7 16.2 1.0
OH B:TYR228 3.7 19.8 1.0
CB B:ALA190 3.8 17.1 1.0
C B:GLY226 3.9 18.3 1.0
O B:TRP215 3.9 21.1 1.0
CE2 B:TYR228 3.9 17.6 1.0
N2 B:663500 4.0 26.9 1.0
C6 B:663500 4.0 22.8 1.0
C B:ILE227 4.2 17.8 1.0
CD1 B:TYR228 4.2 15.0 1.0
N B:SER214 4.4 17.3 1.0
O B:HOH616 4.4 20.8 1.0
CD2 B:TYR228 4.4 16.0 1.0
OD1 B:ASP189 4.4 22.3 1.0
C1 B:663500 4.5 23.5 1.0
CA B:ILE227 4.5 17.9 1.0
CA B:VAL213 4.6 15.8 1.0
CG B:TYR228 4.6 14.8 1.0
C B:TRP215 4.6 21.8 1.0
N B:TRP215 4.6 18.8 1.0
CB B:VAL213 4.7 14.6 1.0
O B:GLY226 4.8 19.4 1.0
CA B:ALA190 4.9 18.1 1.0
C B:VAL213 4.9 17.6 1.0

Reference:

M.Adler, M.Whitlow. N/A N/A.
Page generated: Sat Jul 20 09:58:57 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