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Chlorine in PDB 8trv: Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1

Enzymatic activity of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1

All present enzymatic activity of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1:
2.7.10.1;

Protein crystallography data

The structure of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1, PDB code: 8trv 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) 131.72 / 3.25
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 73.933, 110.558, 263.443, 90, 90, 90
R / Rfree (%) 21.7 / 27.2

Other elements in 8trv:

The structure of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 also contains other interesting chemical elements:

Iodine (I) 5 atoms
Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 (pdb code 8trv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1, PDB code: 8trv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 8trv

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Chlorine binding site 1 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:112.0
occ:1.00
NE2 A:GLN206 3.3 113.5 1.0
OE1 A:GLN206 3.4 106.7 1.0
CD A:GLN206 3.7 109.2 1.0
CE A:MET245 3.8 107.4 1.0
CG A:PRO256 4.1 102.2 1.0
O A:TRP253 4.3 110.0 1.0
SD A:MET245 4.6 107.7 1.0
CD A:PRO256 4.6 105.2 1.0
CB A:TRP253 4.8 100.9 1.0
C A:TRP253 4.8 107.3 1.0

Chlorine binding site 2 out of 10 in 8trv

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Chlorine binding site 2 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:100.9
occ:1.00
N C:THR184 3.3 102.5 1.0
OG1 C:THR184 3.4 112.5 1.0
N C:SER185 3.4 99.9 1.0
O C:ALA182 3.6 104.2 1.0
CB C:SER185 3.8 103.7 1.0
CA C:THR184 4.1 99.1 1.0
CA C:LEU183 4.1 102.6 1.0
C C:LEU183 4.2 97.7 1.0
C C:THR184 4.2 96.4 1.0
CA C:SER185 4.2 98.0 1.0
CB C:THR184 4.3 105.2 1.0
C C:ALA182 4.6 99.8 1.0
CD1 C:LEU183 4.7 96.3 1.0
N C:LEU183 4.8 107.2 1.0

Chlorine binding site 3 out of 10 in 8trv

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Chlorine binding site 3 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:97.2
occ:1.00
CD2 C:HIS188 3.0 92.6 1.0
NE2 C:HIS188 3.0 94.1 1.0
OD2 G:ASP185 3.5 91.7 1.0
CG G:ASP185 4.2 95.5 1.0
CA G:ASP185 4.3 97.3 1.0
CE1 C:HIS188 4.3 93.4 1.0
CG C:HIS188 4.3 90.8 1.0
O G:GLU183 4.3 98.7 1.0
OG1 G:THR182 4.4 87.4 1.0
CB G:ASP185 4.4 95.2 1.0
O C:VAL187 4.5 87.9 1.0
N G:ASP185 4.8 96.8 1.0
CB G:THR182 4.9 86.8 1.0
ND1 C:HIS188 4.9 91.5 1.0

Chlorine binding site 4 out of 10 in 8trv

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Chlorine binding site 4 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:111.0
occ:1.00
NZ G:LYS51 3.2 93.6 1.0
CE G:LYS51 3.2 91.9 1.0
NE2 G:GLN43 3.3 90.8 1.0
CD G:GLN43 4.1 90.3 1.0
OE1 G:GLN43 4.2 88.4 1.0
CD G:PRO72 4.4 107.3 1.0
CD G:LYS51 4.5 93.2 1.0
OD1 G:ASP98 4.8 108.5 1.0
CG G:PRO72 4.8 109.2 1.0
CE1 G:PHE76 4.9 100.0 1.0
CZ G:PHE76 4.9 99.3 1.0
CD2 G:LEU53 4.9 97.1 1.0

Chlorine binding site 5 out of 10 in 8trv

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Chlorine binding site 5 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:118.1
occ:1.00
NE2 E:GLN43 3.3 97.7 1.0
OE1 E:GLN43 3.7 95.6 1.0
CD E:GLN43 3.8 95.0 1.0
NZ E:LYS51 3.8 111.5 1.0
CE E:LYS51 3.9 107.7 1.0
OD1 E:ASP98 4.1 107.3 1.0
CZ E:PHE76 4.3 103.9 1.0
CD E:PRO72 4.3 114.0 1.0
CG E:PRO72 4.4 116.1 1.0
O E:GLU97 4.4 101.3 1.0
CE1 E:PHE76 4.5 107.8 1.0
NH2 E:ARG75 4.7 115.6 1.0
CD2 E:LEU53 4.8 103.3 1.0

Chlorine binding site 6 out of 10 in 8trv

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Chlorine binding site 6 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl303

b:119.3
occ:1.00
CB E:ARG75 3.5 107.7 1.0
N E:ARG75 3.5 110.9 1.0
NH1 E:ARG75 3.6 116.3 1.0
CG E:ARG75 3.6 108.5 1.0
CD E:ARG75 3.9 108.4 1.0
CA E:ARG75 4.1 108.5 1.0
N E:SER74 4.1 111.2 1.0
CB E:PRO72 4.1 115.9 1.0
OG E:SER74 4.3 113.9 1.0
C E:SER74 4.5 110.0 1.0
C E:PRO72 4.5 113.3 1.0
CZ E:ARG75 4.6 113.9 1.0
NE E:ARG75 4.7 110.0 1.0
CA E:PRO72 4.7 114.6 1.0
CA E:SER74 4.7 110.9 1.0

Chlorine binding site 7 out of 10 in 8trv

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Chlorine binding site 7 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl304

b:104.3
occ:1.00
OG E:SER220 3.7 129.7 1.0
O E:THR218 4.1 103.2 1.0
C E:THR218 4.3 103.8 1.0
CB E:SER220 4.5 120.0 1.0
N E:THR219 4.5 113.1 1.0
C E:THR219 4.6 112.3 1.0
N E:SER220 4.7 100.2 1.0
O E:THR219 4.8 116.2 1.0
CA E:THR219 4.8 106.9 1.0
CA E:THR218 4.9 109.4 1.0
CG2 E:THR215 5.0 125.6 1.0
O E:GLY217 5.0 119.9 1.0

Chlorine binding site 8 out of 10 in 8trv

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Chlorine binding site 8 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:127.8
occ:1.00
OE1 B:GLU284 3.1 145.5 1.0
N B:PHE283 3.4 136.0 1.0
CD B:LYS282 3.7 129.0 1.0
CD1 B:LEU291 3.8 125.0 1.0
CA B:LYS282 3.8 127.9 1.0
CD B:GLU284 3.9 143.5 1.0
C B:LYS282 4.1 126.1 1.0
N B:GLU284 4.2 133.3 1.0
OE2 B:GLU284 4.3 144.4 1.0
CG B:LYS282 4.3 125.2 1.0
CG B:LEU291 4.3 121.9 1.0
CA B:PHE283 4.3 134.6 1.0
CB B:PHE283 4.4 138.2 1.0
CE2 B:PHE281 4.5 129.7 1.0
CB B:LYS282 4.5 125.6 1.0
O B:PHE281 4.6 122.7 1.0
CZ B:PHE281 4.8 134.8 1.0
C B:PHE283 4.8 132.7 1.0
N B:LYS282 4.9 128.0 1.0
CB B:LEU291 4.9 120.3 1.0
CE B:LYS282 4.9 128.0 1.0
CD2 B:PHE281 4.9 125.3 1.0

Chlorine binding site 9 out of 10 in 8trv

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Chlorine binding site 9 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:122.9
occ:1.00
N B:GLY207 3.2 118.9 1.0
N B:LEU208 3.4 116.6 1.0
CB B:ASP271 3.4 120.3 1.0
CA B:GLY207 3.8 119.0 1.0
C B:GLN206 4.0 113.4 1.0
CD2 B:LEU205 4.0 112.0 1.0
O B:LEU205 4.0 115.7 1.0
C B:GLY207 4.1 116.2 1.0
CA B:GLN206 4.2 114.1 1.0
CA B:LEU208 4.4 115.0 1.0
CA B:ASP271 4.4 119.8 1.0
OD2 B:ASP271 4.4 119.5 1.0
CG B:ASP271 4.5 119.2 1.0
C B:LEU205 4.7 116.0 1.0
N B:GLN206 4.8 112.4 1.0
O B:GLN206 4.9 112.8 1.0

Chlorine binding site 10 out of 10 in 8trv

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Chlorine binding site 10 out of 10 in the Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of the EPHA2 Lbdcrd Bound to FABS1C_C1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:126.1
occ:1.00
NE2 B:HIS296 2.5 139.1 1.0
OE2 B:GLU295 3.3 136.5 1.0
CE1 B:HIS296 3.3 140.3 1.0
CD2 B:HIS296 3.6 136.4 1.0
O E:GLY112 3.6 122.0 1.0
CA E:GLY112 3.7 124.0 1.0
C E:GLY112 4.1 124.3 1.0
CD B:GLU295 4.4 135.2 1.0
ND1 B:HIS296 4.5 138.5 1.0
CG B:HIS296 4.7 135.9 1.0
CG B:GLU295 4.8 132.6 1.0
CZ B:PHE313 4.9 157.9 1.0
OH D:TYR64 4.9 128.7 1.0
N E:GLY112 4.9 122.7 1.0
CE2 B:PHE313 5.0 158.0 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: Tue Jul 30 12:54:35 2024

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