Atomistry » Chlorine » PDB 3vwd-3w8f » 3vwi
Atomistry »
  Chlorine »
    PDB 3vwd-3w8f »
      3vwi »

Chlorine in PDB 3vwi: High Resolution Crystal Structure of Frac in the Monomeric Form

Protein crystallography data

The structure of High Resolution Crystal Structure of Frac in the Monomeric Form, PDB code: 3vwi was solved by K.Tanaka, K.Morante, J.M.M.Caaveiro, J.M.Gonzalez-Manas, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 114.57 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.170, 44.290, 114.710, 90.00, 92.80, 90.00
R / Rfree (%) 15.3 / 19.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the High Resolution Crystal Structure of Frac in the Monomeric Form (pdb code 3vwi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the High Resolution Crystal Structure of Frac in the Monomeric Form, PDB code: 3vwi:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3vwi

Go back to Chlorine Binding Sites List in 3vwi
Chlorine binding site 1 out of 8 in the High Resolution Crystal Structure of Frac in the Monomeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Crystal Structure of Frac in the Monomeric Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:22.0
occ:1.00
 O A:HOH309 3.1 16.7 1.0
NE1 A:TRP116 3.1 12.6 1.0
N A:SER114 3.1 13.1 1.0
CA A:TYR113 3.5 14.2 1.0
CD1 A:TYR113 3.8 14.5 1.0
O A:HOH425 3.8 29.6 1.0
C A:TYR113 3.8 13.4 1.0
CB A:TYR113 3.9 12.9 1.0
O A:SER114 4.0 12.3 1.0
CE2 A:TRP116 4.0 12.8 1.0
CB A:SER114 4.0 14.1 0.6
CD1 A:TRP116 4.0 11.4 1.0
CA A:SER114 4.1 12.9 0.6
CA A:SER114 4.2 13.2 0.4
CZ2 A:TRP116 4.3 13.4 1.0
CG A:TYR113 4.3 13.3 1.0
OH A:TYR137 4.4 15.7 1.0
C A:SER114 4.5 12.4 1.0
O A:TRP112 4.5 18.5 1.0
CB A:SER114 4.5 14.9 0.4
OG A:SER114 4.7 15.6 0.6
O A:HOH308 4.7 15.6 1.0
N A:TYR113 4.8 15.4 1.0
OG A:SER114 4.8 15.8 0.4
CE1 A:TYR113 4.8 15.2 1.0
NH1 A:ARG144 5.0 19.5 0.5
O A:TYR113 5.0 13.6 1.0

Chlorine binding site 2 out of 8 in 3vwi

Go back to Chlorine Binding Sites List in 3vwi
Chlorine binding site 2 out of 8 in the High Resolution Crystal Structure of Frac in the Monomeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution Crystal Structure of Frac in the Monomeric Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:25.2
occ:1.00
 O B:HOH440 2.8 34.8 1.0
NE1 B:TRP116 3.1 12.8 1.0
O B:HOH325 3.1 16.8 1.0
N B:SER114 3.2 12.1 1.0
O B:HOH476 3.2 44.8 1.0
CA B:TYR113 3.5 13.7 1.0
C B:TYR113 3.8 12.6 1.0
CD1 B:TYR113 3.9 14.3 1.0
CB B:TYR113 3.9 12.9 1.0
CD1 B:TRP116 3.9 12.2 1.0
O B:SER114 4.1 11.4 1.0
O B:HOH474 4.1 48.0 1.0
CA B:SER114 4.2 13.2 1.0
CE2 B:TRP116 4.2 13.4 1.0
CB B:SER114 4.2 14.7 1.0
OH B:TYR137 4.3 15.7 1.0
CG B:TYR113 4.4 13.5 1.0
C B:SER114 4.5 11.6 1.0
CZ2 B:TRP116 4.5 14.0 1.0
O B:TRP112 4.5 21.2 1.0
OG B:SER114 4.6 21.1 1.0
N B:TYR113 4.8 14.6 1.0
O B:HOH309 4.9 15.8 1.0

Chlorine binding site 3 out of 8 in 3vwi

Go back to Chlorine Binding Sites List in 3vwi
Chlorine binding site 3 out of 8 in the High Resolution Crystal Structure of Frac in the Monomeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of High Resolution Crystal Structure of Frac in the Monomeric Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:21.8
occ:1.00
 O B:HOH324 3.0 16.6 1.0
O B:HOH332 3.1 15.9 1.0
N B:LEU61 3.2 13.7 1.0
O A:HOH427 3.4 35.2 1.0
O B:HOH444 3.6 41.0 1.0
CA B:VAL60 3.8 13.8 1.0
CG1 B:VAL60 3.9 16.7 1.0
C B:VAL60 4.0 13.7 1.0
CG B:LEU61 4.0 12.9 1.0
CB B:LEU61 4.1 14.8 1.0
CD A:LYS20 4.2 15.4 1.0
CA B:LEU61 4.2 13.9 1.0
CB B:VAL60 4.3 14.8 1.0
O A:HOH426 4.4 41.5 1.0
CG A:LYS20 4.4 13.5 1.0
CD1 B:LEU61 4.4 13.6 1.0
CE A:LYS20 4.5 15.9 1.0
O B:HOH330 4.6 16.4 1.0
O B:ILE59 4.6 16.0 1.0
O B:HOH445 4.6 38.4 1.0
N B:THR50 4.6 12.7 1.0
CG2 B:VAL60 4.8 14.5 1.0
OG1 B:THR50 4.8 14.4 1.0
O A:HOH371 4.9 22.0 1.0
CA B:ASN49 4.9 13.7 1.0
NZ A:LYS20 5.0 16.6 1.0
CB A:LYS20 5.0 13.9 1.0

Chlorine binding site 4 out of 8 in 3vwi

Go back to Chlorine Binding Sites List in 3vwi
Chlorine binding site 4 out of 8 in the High Resolution Crystal Structure of Frac in the Monomeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of High Resolution Crystal Structure of Frac in the Monomeric Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:30.1
occ:1.00
 O C:HOH381 2.9 19.8 1.0
O B:HOH333 3.2 20.0 1.0
NZ C:LYS64 3.2 27.4 1.0
O B:HOH433 3.3 37.4 1.0
N B:ASP17 3.3 18.8 1.0
N B:PHE16 3.6 17.4 1.0
CB B:ASP17 3.6 22.3 1.0
CG B:ASP17 3.6 24.5 1.0
OD2 B:ASP17 3.7 26.4 1.0
C B:GLY15 3.8 16.4 1.0
CA B:GLY15 3.9 16.0 1.0
O C:HOH446 3.9 38.5 1.0
OG1 C:THR46 3.9 22.2 1.0
CA B:ASP17 4.0 20.2 1.0
OD1 B:ASP17 4.1 27.2 1.0
C B:PHE16 4.2 18.6 1.0
O B:HOH423 4.3 33.1 1.0
CA B:PHE16 4.3 18.6 1.0
O3 B:GOL205 4.5 21.8 1.0
O C:HOH312 4.5 19.9 1.0
O B:GLY15 4.6 14.8 1.0
CB B:PHE16 4.6 20.9 1.0
O B:HOH313 4.7 17.8 1.0
CE C:LYS64 4.7 29.5 1.0
N B:GLY15 4.7 15.0 1.0
CG2 C:THR46 4.8 21.0 1.0
C3 B:GOL205 4.8 26.1 1.0
CB C:THR46 4.8 19.6 1.0
O B:HOH376 4.8 23.1 1.0
N B:VAL18 4.9 18.1 1.0

Chlorine binding site 5 out of 8 in 3vwi

Go back to Chlorine Binding Sites List in 3vwi
Chlorine binding site 5 out of 8 in the High Resolution Crystal Structure of Frac in the Monomeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of High Resolution Crystal Structure of Frac in the Monomeric Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:21.3
occ:1.00
 O C:HOH400 2.9 29.7 1.0
NE1 C:TRP116 3.1 12.8 1.0
O C:HOH327 3.2 18.4 1.0
N C:SER114 3.2 13.9 1.0
CA C:TYR113 3.5 14.2 1.0
O C:HOH423 3.8 34.8 1.0
C C:TYR113 3.8 13.6 1.0
CD1 C:TYR113 3.9 14.3 1.0
CB C:TYR113 3.9 13.0 1.0
CE2 C:TRP116 4.0 13.6 1.0
CD1 C:TRP116 4.0 12.0 1.0
O C:SER114 4.0 11.4 1.0
CB C:SER114 4.1 15.3 1.0
CA C:SER114 4.1 13.1 1.0
CZ2 C:TRP116 4.3 15.0 1.0
CG C:TYR113 4.4 14.1 1.0
OH C:TYR137 4.4 15.3 1.0
OG C:SER114 4.5 22.9 1.0
O C:TRP112 4.5 18.9 1.0
C C:SER114 4.5 12.4 1.0
O C:HOH308 4.7 17.5 1.0
N C:TYR113 4.8 15.8 1.0
CE1 C:TYR113 5.0 16.2 1.0

Chlorine binding site 6 out of 8 in 3vwi

Go back to Chlorine Binding Sites List in 3vwi
Chlorine binding site 6 out of 8 in the High Resolution Crystal Structure of Frac in the Monomeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of High Resolution Crystal Structure of Frac in the Monomeric Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:33.1
occ:1.00
 O C:HOH341 3.2 25.0 1.0
O C:HOH368 3.3 25.6 1.0
N C:LYS123 3.4 18.4 1.0
NH1 C:ARG120 3.7 36.9 1.0
CA C:TYR122 3.9 16.1 1.0
CB C:LYS123 3.9 21.8 1.0
CD2 C:TYR122 4.0 17.6 1.0
C C:TYR122 4.2 17.9 1.0
NH2 C:ARG120 4.2 36.8 1.0
CA C:LYS123 4.2 19.6 1.0
CB C:TYR122 4.4 16.4 1.0
CZ C:ARG120 4.4 33.5 1.0
OH C:TYR156 4.5 22.1 1.0
CG C:TYR122 4.6 16.7 1.0
O C:LYS123 4.8 20.2 1.0
O C:VAL121 4.8 16.4 1.0
CE2 C:TYR122 4.8 18.0 1.0

Chlorine binding site 7 out of 8 in 3vwi

Go back to Chlorine Binding Sites List in 3vwi
Chlorine binding site 7 out of 8 in the High Resolution Crystal Structure of Frac in the Monomeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of High Resolution Crystal Structure of Frac in the Monomeric Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:25.1
occ:1.00
 O D:HOH307 3.0 17.8 1.0
O D:HOH309 3.1 16.9 1.0
O D:HOH416 3.2 36.9 1.0
N D:LEU61 3.3 15.1 1.0
O C:HOH458 3.4 37.7 1.0
CA D:VAL60 3.8 14.9 1.0
CG1 D:VAL60 3.9 18.0 1.0
CG D:LEU61 3.9 16.4 1.0
C D:VAL60 4.0 15.4 1.0
CB D:LEU61 4.1 16.6 1.0
CA D:LEU61 4.3 15.5 1.0
CB D:VAL60 4.3 16.4 1.0
CD1 D:LEU61 4.4 17.0 1.0
CD C:LYS20 4.5 19.1 1.0
O C:HOH406 4.5 34.5 1.0
O D:ILE59 4.6 16.1 1.0
O D:HOH324 4.6 17.5 1.0
N D:THR50 4.6 13.8 1.0
CE C:LYS20 4.6 19.8 1.0
CG C:LYS20 4.7 17.3 1.0
O C:HOH393 4.7 23.9 1.0
O D:HOH417 4.7 35.9 1.0
CG2 D:VAL60 4.8 16.8 1.0
OG1 D:THR50 4.8 15.6 1.0
CA D:ASN49 4.9 13.6 1.0

Chlorine binding site 8 out of 8 in 3vwi

Go back to Chlorine Binding Sites List in 3vwi
Chlorine binding site 8 out of 8 in the High Resolution Crystal Structure of Frac in the Monomeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of High Resolution Crystal Structure of Frac in the Monomeric Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:26.4
occ:1.00
 O D:HOH387 2.7 28.6 1.0
NE1 D:TRP116 3.1 15.1 1.0
N D:SER114 3.1 13.7 1.0
O D:HOH338 3.2 17.9 1.0
O D:HOH448 3.3 42.5 1.0
CA D:TYR113 3.5 14.5 1.0
O D:HOH434 3.6 35.1 1.0
CB D:TYR113 3.8 14.2 1.0
C D:TYR113 3.8 13.9 1.0
CD1 D:TYR113 3.8 15.6 1.0
OG D:SER114 3.9 15.1 0.3
CD1 D:TRP116 4.0 13.8 1.0
O D:SER114 4.0 12.9 1.0
CE2 D:TRP116 4.1 15.4 1.0
CA D:SER114 4.2 13.5 0.7
CA D:SER114 4.2 13.3 0.3
CG D:TYR113 4.3 14.8 1.0
OH D:TYR137 4.3 17.4 1.0
CB D:SER114 4.4 15.2 0.7
CZ2 D:TRP116 4.4 16.4 1.0
O D:TRP112 4.5 19.1 1.0
C D:SER114 4.5 12.8 1.0
OG D:SER114 4.6 17.1 0.7
CB D:SER114 4.6 14.4 0.3
O D:HOH306 4.7 16.4 1.0
N D:TYR113 4.7 15.5 1.0
O D:TYR113 4.9 13.7 1.0
CE1 D:TYR113 4.9 16.2 1.0

Reference:

K.Tanaka, K.Morante, J.M.M.Caaveiro, J.M.Gonzalez-Manas, K.Tsumoto. High Resolution Crystal Structure of Frac in the Monomeric Form To Be Published.
Page generated: Sat Dec 12 10:18:32 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy