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Chlorine in PDB 8trs: Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form

Enzymatic activity of Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form

All present enzymatic activity of Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form:
2.7.10.1;

Protein crystallography data

The structure of Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form, PDB code: 8trs 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) 61.81 / 1.90
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 71.376, 71.376, 235.014, 90, 90, 120
R / Rfree (%) 18 / 21.4

Other elements in 8trs:

The structure of Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Chlorine atom in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form (pdb code 8trs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 18 binding sites of Chlorine where determined in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form, PDB code: 8trs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in 8trs

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Chlorine binding site 1 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:70.9
occ:1.00
 N A:VAL145 3.1 38.7 1.0
CA A:SER144 3.7 41.2 1.0
O A:VAL145 3.8 39.3 1.0
C A:SER144 3.9 40.8 1.0
CA A:VAL145 4.1 34.8 1.0
CB A:VAL145 4.2 39.2 1.0
CG1 A:VAL231 4.2 39.4 1.0
O A:PRO143 4.2 46.0 1.0
C A:VAL145 4.4 40.3 1.0
CB A:SER144 4.4 43.2 1.0
CG2 A:VAL145 4.6 37.0 1.0
CG2 A:VAL231 4.7 40.4 1.0
OG A:SER144 4.7 50.6 1.0
N A:SER144 4.8 40.3 1.0
C A:PRO143 4.9 47.4 1.0

Chlorine binding site 2 out of 18 in 8trs

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Chlorine binding site 2 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl313

b:75.5
occ:1.00
 O A:PHE76 3.0 41.8 1.0
N A:GLY74 3.1 47.4 1.0
CA A:GLY74 3.9 48.4 1.0
CE2 A:TYR67 4.0 39.7 1.0
CA A:LYS72 4.0 44.8 1.0
C A:LYS72 4.0 49.5 1.0
CZ A:TYR67 4.1 37.4 1.0
CD2 A:TYR67 4.1 42.5 1.0
CE1 A:TYR67 4.2 38.3 1.0
CG A:TYR67 4.2 39.4 1.0
C A:PHE76 4.2 38.6 1.0
CD1 A:TYR67 4.3 35.1 1.0
N A:ARG75 4.4 44.4 1.0
C A:GLY74 4.4 51.7 1.0
O A:VAL71 4.5 44.9 1.0
CG A:LYS72 4.6 54.6 1.0
OH A:TYR67 4.6 37.7 1.0
N A:PHE76 4.6 41.5 1.0
CB A:LYS72 4.8 54.3 1.0
OG1 A:THR77 4.8 40.9 1.0

Chlorine binding site 3 out of 18 in 8trs

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Chlorine binding site 3 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl314

b:82.2
occ:1.00
 N A:GLY49 3.0 42.0 1.0
CA A:GLY49 3.5 38.8 1.0
CB A:LYS48 3.9 42.3 1.0
O G:HOH441 3.9 38.5 1.0
C A:GLY49 4.0 40.0 1.0
C A:LYS48 4.2 44.3 1.0
O A:GLY49 4.4 42.9 1.0
CA A:LYS48 4.4 49.7 1.0
O G:HOH479 4.4 48.4 1.0
O A:HOH431 4.5 41.0 1.0
OE1 G:GLN118 4.6 88.0 1.0
N A:LEU50 4.6 36.6 1.0
O A:HOH436 4.7 45.5 1.0
CD A:LYS48 4.8 61.2 1.0
CG A:LYS48 5.0 49.7 1.0

Chlorine binding site 4 out of 18 in 8trs

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Chlorine binding site 4 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl315

b:82.9
occ:1.00
 NZ A:LYS234 3.0 70.7 1.0
O A:GLY214 3.7 73.7 1.0
OG1 A:THR217 3.8 52.9 1.0
O A:GLN216 3.9 59.5 1.0
O A:THR215 4.1 72.5 1.0
CE A:LYS234 4.2 64.3 1.0
C A:GLN216 4.3 55.1 1.0
O A:HOH410 4.3 51.7 1.0
O A:HOH439 4.4 48.1 1.0
C A:THR215 4.4 72.6 1.0
CA A:THR217 4.5 52.1 1.0
C A:GLY214 4.5 70.2 1.0
N A:THR217 4.5 52.7 1.0
O A:LEU213 4.6 60.6 1.0
CB A:THR217 4.7 52.2 1.0
N A:GLN216 4.8 62.5 1.0
CA A:THR215 5.0 69.0 1.0
N A:THR215 5.0 69.8 1.0

Chlorine binding site 5 out of 18 in 8trs

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Chlorine binding site 5 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl316

b:87.8
occ:1.00
 O A:ASP232 3.9 46.0 1.0
C A:ASP232 4.4 41.5 1.0
CB A:ASP232 4.5 39.4 1.0
N A:LYS234 4.5 44.2 1.0
CB A:LYS234 4.8 49.7 1.0
CD1 A:ILE219 4.9 47.1 1.0
N A:LYS233 5.0 37.3 1.0
CG2 A:ILE219 5.0 42.0 1.0

Chlorine binding site 6 out of 18 in 8trs

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Chlorine binding site 6 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl317

b:73.6
occ:1.00
 N A:GLU97 2.7 49.0 1.0
CB A:GLU97 3.1 62.9 1.0
CA A:GLU97 3.4 54.7 1.0
N A:ALA96 3.5 47.4 1.0
C A:ALA96 3.6 49.2 1.0
CB A:ARG95 3.7 59.5 1.0
CA A:ALA96 3.8 49.9 1.0
CB A:ALA96 3.9 53.1 1.0
C A:ARG95 4.1 51.0 1.0
O A:HOH449 4.1 57.5 1.0
CA A:ARG95 4.4 48.8 1.0
CD A:ARG95 4.6 69.8 1.0
C A:GLU97 4.6 49.8 1.0
CG A:ARG95 4.7 65.4 1.0
O A:ALA96 4.8 48.0 1.0
O A:ARG95 4.8 45.5 1.0
NE A:ARG95 4.9 74.2 1.0
N A:ASP98 5.0 43.2 1.0

Chlorine binding site 7 out of 18 in 8trs

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Chlorine binding site 7 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl318

b:65.7
occ:0.56
 CL A:CL318 0.0 65.7 0.6
CL A:CL318 2.1 55.7 0.4
NH1 A:ARG20 3.5 62.5 1.0
O4 A:PEG309 3.7 71.3 1.0
CZ A:TYR88 4.1 43.1 1.0
CE1 A:TYR88 4.1 42.4 1.0
OH A:TYR88 4.2 41.8 1.0
CD A:ARG20 4.3 52.8 1.0
CZ A:ARG20 4.3 60.6 1.0
C3 A:PEG309 4.5 66.7 1.0
C4 A:PEG309 4.5 57.9 1.0
NE A:ARG20 4.6 63.5 1.0
CE2 A:TYR88 4.6 40.5 1.0
CD1 A:TYR88 4.6 35.4 1.0
O A:HOH402 5.0 43.1 1.0

Chlorine binding site 8 out of 18 in 8trs

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Chlorine binding site 8 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl318

b:55.7
occ:0.44
 CL A:CL318 0.0 55.7 0.4
CL A:CL318 2.1 65.7 0.6
CD A:ARG20 3.3 52.8 1.0
CE1 A:TYR88 3.7 42.4 1.0
NH1 A:ARG20 4.0 62.5 1.0
CD1 A:TYR88 4.1 35.4 1.0
NE A:ARG20 4.2 63.5 1.0
CZ A:TYR88 4.3 43.1 1.0
CG A:ARG20 4.4 41.5 1.0
CZ A:ARG20 4.5 60.6 1.0
OH A:TYR88 4.5 41.8 1.0
O A:HOH402 4.5 43.1 1.0
OG A:SER22 4.6 51.1 1.0
O A:HOH425 5.0 52.4 1.0

Chlorine binding site 9 out of 18 in 8trs

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Chlorine binding site 9 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl315

b:79.8
occ:1.00
 NE2 G:GLN27 3.5 65.2 1.0
O G:HOH410 3.7 60.4 1.0
OH G:TYR113 3.7 54.0 1.0
CZ G:TYR113 3.8 49.3 1.0
CE1 G:TYR113 4.1 55.3 1.0
CE2 G:TYR113 4.2 49.2 1.0
OE2 D:GLU310 4.2 54.5 1.0
CE2 G:TYR108 4.4 50.4 1.0
CD G:GLN27 4.8 62.0 1.0
CD1 G:TYR113 4.8 50.4 1.0
CD2 G:TYR113 4.9 45.7 1.0
CD2 G:TYR108 5.0 41.0 1.0

Chlorine binding site 10 out of 18 in 8trs

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Chlorine binding site 10 out of 18 in the Structure of the EPHA2 Crd Bound to FABS1CE_C1, Trigonal Form


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 Crd Bound to FABS1CE_C1, Trigonal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl316

b:87.8
occ:1.00
 O G:HOH481 3.6 55.7 1.0
OG G:SER58 3.6 49.6 1.0
OG G:SER31 3.9 39.1 0.4
CB G:ALA57 4.1 40.1 1.0
CB G:ARG80 4.3 46.2 1.0
CB G:SER58 4.3 38.2 1.0
O G:SER56 4.4 38.2 1.0
CB G:SER31 4.5 41.7 0.4
CB G:SER31 4.6 41.8 0.6
CD G:ARG80 4.7 46.9 1.0
N G:SER58 4.9 37.4 1.0
N G:ARG80 5.0 44.0 1.0

Reference:

H.A.Bruce, A.U.Singer, E.V.Filippova, L.L.Blazer, J.J.Adams, L.Enderle, M.Ben-David, E.H.Radley, D.Y.L.Mao, V.Pau, S.Orlicky, F.Sicheri, I.Kourinov, S.Atwell, A.A.Kossiakoff, S.S.Sidhu. Engineered Antigen-Binding Fragments For Enhanced Crystallization of Antibody:Antigen Complexes. Protein Sci. E4824 2023.
ISSN: ESSN 1469-896X
PubMed: 37945533
DOI: 10.1002/PRO.4824
Page generated: Thu Dec 28 03:33:22 2023

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