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Chlorine in PDB 5dab: Crystal Structure of Fto-IN115

Protein crystallography data

The structure of Crystal Structure of Fto-IN115, PDB code: 5dab was solved by J.Chai, B.Zhou, W.Liu, Z.Han, T.Niu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.91 / 2.10
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 142.681, 142.681, 81.998, 90.00, 90.00, 120.00
R / Rfree (%) 21 / 24.1

Other elements in 5dab:

The structure of Crystal Structure of Fto-IN115 also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Fto-IN115 (pdb code 5dab). 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 Fto-IN115, PDB code: 5dab:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 5dab

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Chlorine binding site 1 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:83.7
occ:1.00
 N A:LYS48 3.1 67.5 1.0
CD A:PRO47 3.3 69.6 1.0
CB A:LYS48 3.4 58.9 1.0
N A:PRO47 3.4 67.4 1.0
O A:LYS45 3.5 72.5 1.0
O A:HOH743 3.5 64.4 1.0
CG A:LYS48 3.6 61.2 1.0
CA A:TYR46 3.6 67.7 1.0
CD1 A:LEU301 3.6 53.0 1.0
C A:TYR46 3.6 65.9 1.0
CG A:PRO47 3.8 71.9 1.0
CA A:LYS48 3.8 63.8 1.0
CD A:LYS48 3.9 60.0 1.0
C A:PRO47 4.1 73.5 1.0
CA A:PRO47 4.3 71.8 1.0
C A:LYS45 4.3 75.2 1.0
N A:TYR46 4.4 76.2 1.0
O A:TYR46 4.4 73.6 1.0
C A:LYS48 4.6 60.4 1.0
CE1 A:HIS305 4.6 60.3 1.0
CB A:TYR46 4.7 58.6 1.0
CB A:PRO47 4.7 70.8 1.0
N A:LEU49 4.7 60.2 1.0
CE A:LYS48 4.8 60.7 1.0
CG A:LEU301 4.8 47.1 1.0
CB A:LEU301 5.0 45.5 1.0

Chlorine binding site 2 out of 10 in 5dab

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Chlorine binding site 2 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:0.7
occ:1.00
 O A:HOH768 3.4 65.6 1.0
NE1 A:TRP278 3.6 55.9 1.0
OG A:SER277 3.8 53.2 1.0
CB A:SER277 3.9 50.0 1.0
O A:ALA303 3.9 55.6 1.0
CE2 A:TRP278 4.3 62.0 1.0
CD1 A:TRP278 4.4 61.9 1.0
NE2 A:HIS232 4.5 50.6 1.0
CE1 A:HIS232 4.6 46.3 1.0
CZ2 A:TRP278 4.6 63.7 1.0

Chlorine binding site 3 out of 10 in 5dab

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Chlorine binding site 3 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:0.2
occ:1.00
 O A:HOH781 3.7 54.0 1.0
O A:HOH768 3.8 65.6 1.0
CA A:ALA303 4.2 50.5 1.0
CB A:ALA303 4.3 50.7 1.0
O A:ASP233 4.4 49.0 1.0
CB A:HIS232 4.5 43.1 1.0
ND2 A:ASN302 4.5 48.2 1.0
O A:HOH789 4.6 60.3 1.0
O A:HOH774 4.6 56.3 1.0
O A:ASN302 4.8 46.3 1.0
CG A:HIS232 4.8 47.3 1.0
N A:ALA303 4.9 49.2 1.0

Chlorine binding site 4 out of 10 in 5dab

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Chlorine binding site 4 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:96.1
occ:1.00
 CD1 A:LEU406 3.7 58.1 1.0
OD2 A:ASP350 4.8 77.9 1.0
O A:ALA405 4.9 49.9 1.0
O A:HOH783 4.9 74.8 1.0

Chlorine binding site 5 out of 10 in 5dab

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Chlorine binding site 5 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:92.5
occ:1.00
 O A:HOH744 3.6 66.7 1.0
O A:PRO102 3.8 63.6 1.0
CH2 A:TRP395 4.1 59.9 1.0
OD1 A:ASP332 4.1 78.6 1.0
CZ2 A:TRP395 4.1 61.9 1.0
C A:PRO102 4.1 59.5 1.0
CA A:GLY103 4.2 54.2 1.0
OD2 A:ASP332 4.2 78.4 1.0
N A:GLY103 4.3 58.4 1.0
CB A:PRO102 4.4 60.7 1.0
CG A:ASP332 4.4 75.1 1.0
CD2 A:LEU331 4.8 60.6 1.0
CA A:PRO102 4.9 59.8 1.0
CB A:LEU331 5.0 53.9 1.0

Chlorine binding site 6 out of 10 in 5dab

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Chlorine binding site 6 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl606

b:0.6
occ:1.00
 O A:TYR199 3.4 58.6 1.0
OD1 A:ASN101 4.0 66.8 1.0
ND2 A:ASN101 4.3 67.7 1.0
ND2 A:ASN143 4.4 57.8 1.0
C A:TYR199 4.4 54.8 1.0
CG A:ASN101 4.6 69.2 1.0
CA A:ASN200 4.6 54.9 1.0
CG2 A:VAL120 4.8 95.2 1.0
N A:ASN200 5.0 50.0 1.0

Chlorine binding site 7 out of 10 in 5dab

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Chlorine binding site 7 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:0.3
occ:1.00
 CL A:CL608 4.3 98.2 1.0
CE1 A:PHE317 4.4 77.3 1.0
NE2 A:HIS73 4.4 92.7 1.0
CD2 A:LEU70 4.4 83.2 1.0
CZ A:PHE317 4.5 77.4 1.0
CE1 A:PHE206 4.5 63.4 1.0
CD2 A:HIS73 4.5 91.8 1.0
CZ A:PHE206 4.7 65.0 1.0
CE1 A:HIS73 4.8 88.5 1.0

Chlorine binding site 8 out of 10 in 5dab

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Chlorine binding site 8 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:98.2
occ:1.00
 SG A:CYS249 3.6 0.2 1.0
CB A:CYS249 3.6 96.4 1.0
CE1 A:PHE317 3.8 77.3 1.0
CD1 A:PHE317 4.0 72.8 1.0
O A:PRO315 4.1 68.8 1.0
CL A:CL607 4.3 0.3 1.0
CZ A:TYR247 4.5 86.8 1.0
CG A:PRO315 4.5 74.0 1.0
N A:CYS249 4.5 88.0 1.0
C A:PRO315 4.5 66.8 1.0
CE2 A:TYR247 4.5 84.0 1.0
CB A:PRO315 4.5 69.1 1.0
CA A:CYS249 4.6 94.1 1.0
O A:TYR247 4.7 65.2 1.0
OH A:TYR247 4.7 90.3 1.0
C A:SER248 4.9 83.3 1.0
CE1 A:TYR247 4.9 83.8 1.0
CD2 A:TYR247 4.9 80.3 1.0
N A:ARG316 4.9 63.7 1.0
CD2 A:LEU70 5.0 83.2 1.0

Chlorine binding site 9 out of 10 in 5dab

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Chlorine binding site 9 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl609

b:0.9
occ:1.00
 OD1 A:ASP299 4.5 61.9 1.0
CD2 A:LEU157 4.5 80.2 1.0
CG A:ASP299 4.6 61.1 1.0
CG A:LEU157 4.7 81.7 1.0
OD2 A:ASP299 4.7 65.7 1.0
CA A:ALA158 4.8 0.4 1.0
CB A:ALA158 5.0 99.7 1.0

Chlorine binding site 10 out of 10 in 5dab

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Chlorine binding site 10 out of 10 in the Crystal Structure of Fto-IN115


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 Fto-IN115 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl612

b:70.3
occ:1.00
 CL A:58W612 0.0 70.3 1.0
C03 A:58W612 1.7 68.2 1.0
C04 A:58W612 2.7 65.8 1.0
C02 A:58W612 2.7 65.4 1.0
O02 A:58W612 2.9 65.7 1.0
O A:MET226 3.3 62.1 1.0
O A:ALA227 3.6 59.9 1.0
N A:SER229 3.6 46.9 1.0
C A:ALA227 3.6 57.6 1.0
CB A:MET226 3.8 55.5 1.0
N A:VAL228 3.8 56.0 1.0
C A:MET226 3.8 58.3 1.0
CA A:VAL228 3.9 50.6 1.0
C A:VAL228 3.9 51.3 1.0
C01 A:58W612 4.0 70.8 1.0
C05 A:58W612 4.0 67.7 1.0
O A:HOH784 4.0 61.8 1.0
CB A:LYS216 4.1 69.2 1.0
CB A:SER229 4.2 59.1 1.0
CA A:SER229 4.3 51.8 1.0
CE A:MET226 4.3 52.5 1.0
N A:ALA227 4.4 55.5 1.0
CA A:ALA227 4.4 53.0 1.0
CA A:MET226 4.5 58.2 1.0
C06 A:58W612 4.5 72.4 1.0
OG A:SER229 4.5 73.0 1.0
O A:HOH790 4.6 74.5 1.0
O A:VAL228 4.7 49.0 1.0
CD A:LYS216 4.8 87.2 1.0
CG A:MET226 4.9 55.0 1.0
O01 A:58W612 4.9 79.0 1.0
SD A:MET226 5.0 54.2 1.0

Reference:

J.Chai, B.Zhou, W.Liu, Z.Han, T.Niu. Crystal Structure of Fto-IN115 To Be Published.
Page generated: Fri Jul 26 06:37:44 2024

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