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Chlorine in PDB 3ft1: Crystal Structure of Pollen Allergen Phl P 3

Protein crystallography data

The structure of Crystal Structure of Pollen Allergen Phl P 3, PDB code: 3ft1 was solved by W.Keller, S.C.Devanaboyina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.79
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.068, 74.447, 56.693, 90.00, 104.59, 90.00
R / Rfree (%) 17 / 22.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Pollen Allergen Phl P 3 (pdb code 3ft1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of Pollen Allergen Phl P 3, PDB code: 3ft1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 3ft1

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Chlorine binding site 1 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


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 Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:17.6
occ:1.00
 O A:HOH141 3.1 21.9 1.0
NE A:ARG25 3.2 13.4 1.0
O A:HOH216 3.2 18.5 1.0
NH2 A:ARG25 3.4 14.8 1.0
CB A:PHE100 3.5 37.6 1.0
CZ A:ARG25 3.8 16.2 1.0
CE A:MET75 4.0 29.6 1.0
CG2 A:VAL2 4.0 13.8 1.0
CD1 A:PHE100 4.0 23.9 1.0
CA A:PHE100 4.1 33.9 1.0
N A:PHE100 4.1 44.2 1.0
CA A:ALA1 4.2 22.0 1.0
CG A:PHE100 4.2 43.6 1.0
SD A:MET75 4.3 28.4 1.0
CD A:ARG25 4.3 12.4 1.0
C A:ALA1 4.3 19.7 1.0
CG A:MET75 4.5 20.6 1.0
N A:VAL2 4.5 11.5 1.0
N A:ALA1 4.5 20.1 1.0
O A:GLN98 4.6 17.9 1.0
CG A:ARG25 4.7 11.8 1.0
O A:ALA1 4.9 20.6 1.0

Chlorine binding site 2 out of 10 in 3ft1

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Chlorine binding site 2 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


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 Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:24.2
occ:1.00
 O A:HOH163 2.9 69.3 1.0
N A:PHE100 3.3 44.2 1.0
N A:ALA1 3.5 20.1 1.0
CA A:ALA1 3.7 22.0 1.0
CB A:ALA1 3.7 20.0 1.0
CA A:GLU99 3.7 24.5 1.0
CB A:GLU99 3.8 29.1 1.0
C A:GLU99 4.0 33.6 1.0
CB A:PHE100 4.3 37.6 1.0
CA A:PHE100 4.3 33.9 1.0
OE1 A:GLU99 4.4 59.9 1.0
CG A:GLU99 4.6 28.6 1.0
OXT A:PHE100 4.7 40.5 1.0
O A:HOH216 4.9 18.5 1.0
CD A:GLU99 5.0 49.2 1.0

Chlorine binding site 3 out of 10 in 3ft1

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Chlorine binding site 3 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


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 Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl585

b:28.2
occ:1.00
 OH A:TYR93 2.9 13.3 1.0
O A:HOH560 3.0 35.6 1.0
NZ A:LYS91 3.3 20.0 1.0
O A:HOH462 3.3 40.6 1.0
O A:ALA86 3.8 17.7 1.0
CD A:LYS91 3.8 22.6 1.0
CZ A:TYR93 3.8 12.2 1.0
CE1 A:TYR93 3.8 8.8 1.0
CE A:LYS91 4.0 25.4 1.0
CG A:PRO84 4.0 13.3 1.0
O A:HOH490 4.2 50.4 1.0
CB A:SER88 4.3 10.0 1.0
N A:SER88 4.4 12.4 1.0
CA A:PHE87 4.4 13.1 1.0
C A:PHE87 4.6 16.9 1.0
C A:ALA86 4.8 14.6 1.0
CD A:PRO84 4.8 10.8 1.0

Chlorine binding site 4 out of 10 in 3ft1

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Chlorine binding site 4 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:18.4
occ:1.00
 O B:HOH134 3.0 22.8 1.0
NE B:ARG25 3.2 16.4 1.0
O B:HOH199 3.2 24.9 1.0
NH2 B:ARG25 3.3 14.9 1.0
CB B:PHE100 3.6 47.6 1.0
CZ B:ARG25 3.7 15.6 1.0
CE B:MET75 4.0 31.7 1.0
N B:PHE100 4.0 42.5 1.0
CG2 B:VAL2 4.1 14.3 1.0
CA B:PHE100 4.1 33.4 1.0
SD B:MET75 4.2 25.3 1.0
CD2 B:PHE100 4.3 33.1 1.0
CD B:ARG25 4.3 12.5 1.0
CA B:ALA1 4.4 19.4 1.0
CG B:MET75 4.4 20.8 1.0
CG B:PHE100 4.4 30.9 1.0
N B:VAL2 4.5 16.4 1.0
C B:ALA1 4.5 22.4 1.0
O B:GLN98 4.5 16.3 1.0
N B:ALA1 4.6 13.7 1.0
CG B:ARG25 4.6 17.2 1.0
C B:GLU99 5.0 46.6 1.0

Chlorine binding site 5 out of 10 in 3ft1

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Chlorine binding site 5 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:29.9
occ:1.00
 O B:HOH582 3.1 37.4 1.0
N B:ALA1 3.5 13.7 1.0
N B:PHE100 3.5 42.5 1.0
CA B:GLU99 3.6 37.3 1.0
CB B:GLU99 3.6 54.6 1.0
CA B:ALA1 3.7 19.4 1.0
CB B:ALA1 3.8 15.8 1.0
C B:GLU99 4.0 46.6 1.0
CG B:GLU99 4.1 40.1 1.0
OE2 B:GLU99 4.4 70.0 1.0
CA B:PHE100 4.6 33.4 1.0
CD B:GLU99 4.6 66.6 1.0
CB B:PHE100 4.6 47.6 1.0
O B:PHE100 4.9 52.9 1.0
N B:GLU99 4.9 33.7 1.0
O B:HOH199 4.9 24.9 1.0

Chlorine binding site 6 out of 10 in 3ft1

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Chlorine binding site 6 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl588

b:27.4
occ:1.00
 OH B:TYR93 3.0 12.6 1.0
O B:HOH533 3.1 40.5 1.0
O B:HOH322 3.3 30.1 1.0
NZ B:LYS91 3.3 24.1 1.0
CD B:LYS91 3.7 20.0 1.0
O B:ALA86 3.7 17.2 1.0
CE1 B:TYR93 3.8 12.7 1.0
CZ B:TYR93 3.9 12.2 1.0
CE B:LYS91 3.9 24.3 1.0
CG B:PRO84 4.0 12.0 1.0
N B:SER88 4.3 14.7 1.0
CB B:SER88 4.3 16.4 1.0
CA B:PHE87 4.4 11.5 1.0
C B:PHE87 4.6 19.7 1.0
C B:ALA86 4.7 14.7 1.0
CD B:PRO84 4.8 9.5 1.0

Chlorine binding site 7 out of 10 in 3ft1

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Chlorine binding site 7 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:20.2
occ:1.00
 O C:HOH583 2.9 27.8 1.0
O C:HOH107 3.1 17.9 1.0
NE C:ARG25 3.3 21.8 1.0
NH2 C:ARG25 3.3 17.8 1.0
CZ C:ARG25 3.8 22.8 1.0
CA C:GLU99 4.0 31.5 1.0
CG C:GLU99 4.0 35.2 1.0
CG2 C:VAL2 4.1 19.1 1.0
C C:GLU99 4.3 40.5 1.0
CA C:ALA1 4.3 18.1 1.0
CD C:ARG25 4.4 16.4 1.0
SD C:MET75 4.4 28.8 1.0
CE C:MET75 4.4 53.4 1.0
O C:GLN98 4.5 18.5 1.0
N C:VAL2 4.5 15.5 1.0
C C:ALA1 4.5 18.1 1.0
CG C:MET75 4.5 18.5 1.0
CB C:GLU99 4.6 32.5 1.0
N C:ALA1 4.7 14.7 1.0
CG C:ARG25 4.7 11.4 1.0

Chlorine binding site 8 out of 10 in 3ft1

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Chlorine binding site 8 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl587

b:31.8
occ:1.00
 OH C:TYR93 2.9 14.2 1.0
NZ C:LYS91 3.4 18.2 1.0
O C:HOH526 3.6 42.9 1.0
O C:ALA86 3.7 19.4 1.0
CD C:LYS91 3.8 17.3 1.0
CZ C:TYR93 3.9 16.8 1.0
CE2 C:TYR93 3.9 9.6 1.0
CE C:LYS91 3.9 22.2 1.0
CG C:PRO84 4.1 14.4 1.0
CB C:SER88 4.1 7.5 1.0
N C:SER88 4.2 15.0 1.0
CA C:PHE87 4.3 15.1 1.0
C C:PHE87 4.5 14.8 1.0
C C:ALA86 4.7 22.2 1.0
CA C:SER88 4.8 14.0 1.0
CD C:PRO84 4.9 11.6 1.0

Chlorine binding site 9 out of 10 in 3ft1

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Chlorine binding site 9 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:17.6
occ:1.00
 O D:HOH576 3.0 26.1 1.0
O D:HOH108 3.1 18.6 1.0
NE D:ARG25 3.2 15.8 1.0
NH2 D:ARG25 3.3 14.0 1.0
CZ D:ARG25 3.7 18.2 1.0
CG2 D:VAL2 4.1 14.9 1.0
CG D:GLU99 4.1 38.0 1.0
CA D:GLU99 4.1 53.1 1.0
CE D:MET75 4.2 43.3 1.0
SD D:MET75 4.4 29.0 1.0
CA D:ALA1 4.4 14.2 1.0
CD D:ARG25 4.4 12.2 1.0
CG D:MET75 4.4 19.6 1.0
O D:GLN98 4.5 15.7 1.0
C D:GLU99 4.5 30.8 1.0
C D:ALA1 4.5 14.9 1.0
N D:VAL2 4.5 12.6 1.0
CG D:ARG25 4.7 11.9 1.0
CB D:GLU99 4.7 46.4 1.0
N D:ALA1 4.7 14.7 1.0

Chlorine binding site 10 out of 10 in 3ft1

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Chlorine binding site 10 out of 10 in the Crystal Structure of Pollen Allergen Phl P 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Pollen Allergen Phl P 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl586

b:30.8
occ:1.00
 OH D:TYR93 3.0 12.2 1.0
O D:HOH540 3.0 43.1 1.0
NZ D:LYS91 3.2 24.7 1.0
O D:HOH394 3.5 39.9 1.0
O D:ALA86 3.8 19.0 1.0
CD D:LYS91 3.8 15.6 1.0
CE D:LYS91 3.9 23.2 1.0
CZ D:TYR93 3.9 14.9 1.0
CE1 D:TYR93 4.0 13.2 1.0
CG D:PRO84 4.1 13.7 1.0
CB D:SER88 4.3 11.1 1.0
N D:SER88 4.3 10.7 1.0
CA D:PHE87 4.4 11.3 1.0
C D:PHE87 4.6 10.9 1.0
C D:ALA86 4.7 16.8 1.0
CD D:PRO84 4.9 16.1 1.0
CA D:SER88 5.0 9.2 1.0

Reference:

W.Keller, S.C.Devanaboyina. Crystal Structure of Pollen Allergen Phl P 3 To Be Published.
Page generated: Sat Jul 20 19:36:14 2024

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