Chlorine in PDB 8tv2: Structure of Apo FABS1C_L1

Protein crystallography data

The structure of Structure of Apo FABS1C_L1, PDB code: 8tv2 was solved by A.U.Singer, H.A.Bruce, L.Blazer, J.J.Adams, F.Sicheri, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.31 / 2.65
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 74.259, 74.259, 370.837, 90, 90, 120
R / Rfree (%) 20.4 / 24.7

Other elements in 8tv2:

The structure of Structure of Apo FABS1C_L1 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Apo FABS1C_L1 (pdb code 8tv2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of Apo FABS1C_L1, PDB code: 8tv2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 8tv2

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Chlorine binding site 1 out of 8 in the Structure of Apo FABS1C_L1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Apo FABS1C_L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:82.5
occ:1.00
 OG D:SER110 3.6 83.6 1.0
O D:HIS108 3.7 64.1 1.0
N D:SER110 4.0 69.9 1.0
CD1 A:TYR60 4.1 71.5 1.0
CA D:TYR109 4.2 67.3 1.0
CE1 A:TYR60 4.4 77.4 1.0
O A:TYR59 4.6 67.1 1.0
C D:TYR109 4.6 69.0 1.0
CE3 D:TRP112 4.7 82.5 1.0
C D:HIS108 4.7 63.8 1.0
NE2 D:HIS108 4.7 72.2 1.0
CE2 A:TYR59 4.7 66.7 1.0
CB D:SER110 4.8 72.8 1.0
CZ3 D:TRP112 4.9 87.3 1.0
N D:TYR109 5.0 63.9 1.0
CD2 D:HIS108 5.0 65.7 1.0

Chlorine binding site 2 out of 8 in 8tv2

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Chlorine binding site 2 out of 8 in the Structure of Apo FABS1C_L1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Apo FABS1C_L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:86.1
occ:1.00
 N D:VAL145 3.5 55.5 1.0
NZ D:LYS233 3.8 72.7 1.0
O D:VAL145 3.8 52.6 1.0
CA D:SER144 4.1 54.0 1.0
CB D:VAL145 4.3 49.0 1.0
CA D:VAL145 4.3 53.2 1.0
C D:SER144 4.3 58.2 1.0
CG1 D:VAL231 4.4 61.5 1.0
C D:VAL145 4.5 52.3 1.0
O D:PRO143 4.6 49.3 1.0
CB D:SER144 4.7 60.7 1.0
CE D:LYS233 4.8 68.2 1.0
CG2 D:VAL231 5.0 51.0 1.0

Chlorine binding site 3 out of 8 in 8tv2

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Chlorine binding site 3 out of 8 in the Structure of Apo FABS1C_L1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Apo FABS1C_L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:79.1
occ:1.00
 O E:SER12 3.7 83.8 1.0
N E:SER12 4.0 78.4 1.0
CB E:SER12 4.6 81.0 1.0
C E:SER12 4.6 80.6 1.0
CA E:SER12 4.7 80.4 1.0
OG E:SER12 4.8 90.8 1.0
CA E:LEU11 4.8 76.4 1.0
C E:LEU11 5.0 75.5 1.0

Chlorine binding site 4 out of 8 in 8tv2

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Chlorine binding site 4 out of 8 in the Structure of Apo FABS1C_L1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Apo FABS1C_L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:81.0
occ:1.00
 O E:PHE111 3.0 80.3 1.0
N D:TRP52 3.2 63.2 1.0
N E:PHE116 3.4 69.1 1.0
CD2 E:PHE116 3.4 55.9 1.0
CA E:THR115 3.6 69.5 1.0
CA D:GLU51 3.7 64.3 1.0
C E:THR115 3.9 69.8 1.0
CB D:TRP52 3.9 63.3 1.0
C D:GLU51 3.9 64.8 1.0
C E:PHE111 4.0 75.0 1.0
O D:LEU50 4.1 61.6 1.0
CA D:TRP52 4.1 63.7 1.0
CB E:PHE116 4.2 62.0 1.0
N E:THR115 4.3 78.5 1.0
CE2 E:PHE116 4.3 54.4 1.0
CG E:PHE116 4.3 60.1 1.0
CA E:PHE116 4.4 66.0 1.0
CG D:GLU51 4.5 64.0 1.0
CB D:GLU51 4.6 59.9 1.0
CG2 E:THR115 4.6 83.0 1.0
N D:GLU51 4.6 61.4 1.0
CB E:THR115 4.7 77.1 1.0
O D:TRP52 4.7 68.0 1.0
O E:PRO110 4.7 77.2 1.0
C D:LEU50 4.7 62.5 1.0
C D:TRP52 4.9 64.6 1.0
O E:THR115 5.0 71.5 1.0

Chlorine binding site 5 out of 8 in 8tv2

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Chlorine binding site 5 out of 8 in the Structure of Apo FABS1C_L1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Apo FABS1C_L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl303

b:92.0
occ:1.00
 N E:ASN228 3.2 69.4 1.0
CB E:GLU231 3.2 99.5 1.0
CA E:PHE227 3.5 60.9 1.0
CB E:PHE227 3.7 61.3 1.0
C E:PHE227 3.9 64.8 1.0
O E:ASN228 3.9 78.2 1.0
ND2 E:ASN228 4.0 86.8 1.0
CA E:ASN228 4.2 76.5 1.0
CB E:ASN228 4.3 85.4 1.0
C E:ASN228 4.5 76.1 1.0
CG E:ASN228 4.6 85.9 1.0
CA E:GLU231 4.7 104.3 1.0
N E:PHE227 4.8 61.2 1.0
O E:SER226 4.8 60.9 1.0
CG E:PHE227 5.0 58.9 1.0

Chlorine binding site 6 out of 8 in 8tv2

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Chlorine binding site 6 out of 8 in the Structure of Apo FABS1C_L1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Apo FABS1C_L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:68.6
occ:1.00
 N A:SER110 3.1 62.5 1.0
NE1 A:TRP113 3.2 67.5 1.0
CB A:SER110 3.5 61.5 1.0
CD1 A:TRP113 3.9 70.8 1.0
CA A:SER110 3.9 63.3 1.0
CA A:TYR109 4.1 62.2 1.0
C A:TYR109 4.1 65.1 1.0
CD1 A:TYR109 4.2 78.0 1.0
O A:HIS108 4.2 65.3 1.0
CE2 A:TRP113 4.3 70.0 1.0
OG A:SER110 4.7 60.9 1.0
CZ2 A:TRP113 4.8 72.8 1.0
CB A:TYR109 4.8 67.9 1.0
CE1 A:TYR109 5.0 72.5 1.0
C A:SER110 5.0 68.1 1.0

Chlorine binding site 7 out of 8 in 8tv2

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Chlorine binding site 7 out of 8 in the Structure of Apo FABS1C_L1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Apo FABS1C_L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:85.3
occ:1.00
 NH1 A:ARG106 2.9 75.0 1.0
CZ A:ARG106 3.4 76.4 1.0
OG A:SER33 3.7 70.9 1.0
NE A:ARG106 3.8 76.8 1.0
CD A:ARG106 3.9 68.5 1.0
NH2 A:ARG106 4.1 66.7 1.0
CA A:SER110 4.1 63.3 1.0
O A:SER107 4.2 64.5 1.0
CB A:SER110 4.3 61.5 1.0
N A:SER110 4.3 62.5 1.0
O A:HOH406 4.3 59.5 1.0
O A:HIS108 4.4 65.3 1.0
OG A:SER32 4.5 73.1 1.0
CB A:SER33 4.6 66.6 1.0
O A:SER32 4.6 58.7 1.0
CG A:ARG106 4.6 59.8 1.0
C A:TYR109 4.8 65.1 1.0
CD2 A:PHE28 4.9 67.7 1.0
O A:TYR109 4.9 63.9 1.0
C A:HIS108 5.0 66.7 1.0

Chlorine binding site 8 out of 8 in 8tv2

Go back to Chlorine Binding Sites List in 8tv2
Chlorine binding site 8 out of 8 in the Structure of Apo FABS1C_L1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Apo FABS1C_L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:90.3
occ:1.00
 CD B:ARG18 3.4 84.0 1.0
CG B:ARG18 3.8 79.6 1.0
CB B:ARG18 4.2 80.2 1.0
O B:ARG18 4.4 88.3 1.0
NE B:ARG18 4.7 81.2 1.0

Reference:

J.J.Adams, H.A.Bruce, L.Ploder, J.Garcia, G.Khutoreskaya, N.Jarvik, L.E.Costa, M.Gorelik, I.Pot, F.Sicheri, L.L.Blazer, A.U.Singer, S.S.Sidhu. Synthetic Antibodies Targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To Be Published.
Page generated: Sun Aug 11 10:54:32 2024

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