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Chlorine in PDB 6fgo: Fc in Complex with Engineered Calcium Binding Domain Z

Protein crystallography data

The structure of Fc in Complex with Engineered Calcium Binding Domain Z, PDB code: 6fgo was solved by R.Venskutonyte, S.Kanje, S.Hober, K.Lindkvist-Petersson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.53 / 2.50
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 90.229, 120.296, 126.330, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 23.2

Other elements in 6fgo:

The structure of Fc in Complex with Engineered Calcium Binding Domain Z also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Fc in Complex with Engineered Calcium Binding Domain Z (pdb code 6fgo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Fc in Complex with Engineered Calcium Binding Domain Z, PDB code: 6fgo:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6fgo

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Chlorine binding site 1 out of 9 in the Fc in Complex with Engineered Calcium Binding Domain Z


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fc in Complex with Engineered Calcium Binding Domain Z within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1008

b:72.5
occ:1.00
 N B:VAL240 3.7 74.3 1.0
CD1 B:ILE332 3.8 82.7 1.0
NZ B:LYS334 3.8 72.4 1.0
CE B:LYS334 3.8 69.4 1.0
CG2 B:ILE332 4.0 74.5 1.0
CA B:SER239 4.1 85.3 1.0
O B:VAL240 4.3 67.1 1.0
CB B:SER239 4.4 87.5 1.0
CG1 B:ILE332 4.4 81.0 1.0
C B:SER239 4.4 80.8 1.0
OG B:SER239 4.6 92.5 1.0
CA B:VAL240 4.7 68.3 1.0
O B:PRO238 4.7 96.0 1.0
CB B:VAL240 4.7 65.6 1.0
CB B:ILE332 4.8 76.5 1.0
C B:VAL240 4.9 66.2 1.0

Chlorine binding site 2 out of 9 in 6fgo

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Chlorine binding site 2 out of 9 in the Fc in Complex with Engineered Calcium Binding Domain Z


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fc in Complex with Engineered Calcium Binding Domain Z within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1009

b:84.3
occ:1.00
 CZ B:TYR278 4.0 66.1 1.0
CE1 B:TYR278 4.1 64.3 1.0
OE1 B:GLU333 4.2 73.5 1.0
OH B:TYR278 4.2 70.5 1.0
CE2 B:TYR278 4.2 63.8 1.0
NZ B:LYS320 4.3 68.2 1.0
OE2 B:GLU333 4.3 77.5 1.0
CD B:GLU333 4.4 74.9 1.0
CD B:LYS320 4.5 62.7 1.0
CD1 B:TYR278 4.5 59.4 1.0
CD2 B:TYR278 4.6 60.2 1.0
CD B:LYS322 4.7 80.0 1.0
CG B:TYR278 4.8 57.8 1.0
NZ B:LYS322 4.9 87.3 1.0

Chlorine binding site 3 out of 9 in 6fgo

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Chlorine binding site 3 out of 9 in the Fc in Complex with Engineered Calcium Binding Domain Z


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Fc in Complex with Engineered Calcium Binding Domain Z within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1009

b:66.2
occ:1.00
 N C:VAL240 3.3 56.4 1.0
CE C:LYS334 3.6 66.0 1.0
NZ C:LYS334 3.8 68.4 1.0
O C:VAL240 3.8 60.1 1.0
CA C:SER239 3.8 55.4 1.0
CB C:SER239 4.0 57.4 1.0
C C:SER239 4.1 54.0 1.0
CG2 C:ILE332 4.3 57.7 1.0
CA C:VAL240 4.3 54.9 1.0
CD1 C:ILE332 4.3 58.9 1.0
OG C:SER239 4.5 60.6 1.0
C C:VAL240 4.5 55.7 1.0
CB C:VAL240 4.5 53.9 1.0
CG2 C:VAL240 4.9 54.4 1.0
O C:PRO238 5.0 61.5 1.0

Chlorine binding site 4 out of 9 in 6fgo

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Chlorine binding site 4 out of 9 in the Fc in Complex with Engineered Calcium Binding Domain Z


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Fc in Complex with Engineered Calcium Binding Domain Z within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1010

b:74.7
occ:1.00
 NZ C:LYS439 3.7 65.9 1.0
OE1 C:GLU345 3.9 65.5 1.0
OG1 C:THR437 4.0 58.4 1.0
CE C:LYS439 4.0 61.0 1.0
CB C:THR437 4.5 58.5 1.0
CG2 C:THR437 4.5 55.9 1.0
CD2 C:LEU432 4.6 54.5 1.0

Chlorine binding site 5 out of 9 in 6fgo

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Chlorine binding site 5 out of 9 in the Fc in Complex with Engineered Calcium Binding Domain Z


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Fc in Complex with Engineered Calcium Binding Domain Z within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1011

b:75.4
occ:1.00
 NZ C:LYS320 3.5 67.7 1.0
CE2 C:TYR278 4.0 59.1 1.0
CZ C:TYR278 4.0 58.8 1.0
OH C:TYR278 4.3 60.8 1.0
CD2 C:TYR278 4.4 57.7 1.0
CE1 C:TYR278 4.5 55.5 1.0
CE C:LYS320 4.6 64.5 1.0
CD C:LYS320 4.7 61.9 1.0
CG C:TYR278 4.8 56.9 1.0
CD1 C:TYR278 4.9 55.2 1.0

Chlorine binding site 6 out of 9 in 6fgo

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Chlorine binding site 6 out of 9 in the Fc in Complex with Engineered Calcium Binding Domain Z


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Fc in Complex with Engineered Calcium Binding Domain Z within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1012

b:72.4
occ:1.00
 O C:HOH1103 3.2 44.5 1.0
C2 C:PEG1016 3.9 84.3 1.0
NE2 C:GLN295 4.0 57.4 1.0
NZ F:LYS61 4.0 60.1 1.0
CZ C:TYR296 4.1 68.1 1.0
CE2 C:TYR296 4.1 65.2 1.0
OH C:TYR296 4.2 71.1 1.0
O C:GLU294 4.3 59.1 1.0
O2 C:PEG1016 4.5 83.9 1.0
CE1 C:TYR296 4.6 67.7 1.0
CD2 C:TYR296 4.7 65.0 1.0
CD C:GLN295 4.7 54.3 1.0
OE1 C:GLN295 4.9 54.5 1.0
CA C:GLN295 5.0 62.9 1.0

Chlorine binding site 7 out of 9 in 6fgo

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Chlorine binding site 7 out of 9 in the Fc in Complex with Engineered Calcium Binding Domain Z


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Fc in Complex with Engineered Calcium Binding Domain Z within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1013

b:83.3
occ:1.00
 OE2 C:GLU380 3.7 54.2 1.0
OE2 C:GLU382 3.7 0.4 1.0
CB C:SER426 3.9 59.2 1.0
OG C:SER426 4.0 62.7 1.0
SD C:MET428 4.3 63.1 1.0
NE2 C:GLN438 4.5 86.6 1.0
CE C:MET428 4.5 60.8 1.0
CD C:GLU380 4.8 52.6 1.0
CD C:GLU382 4.8 0.3 1.0
CG C:MET428 5.0 58.6 1.0

Chlorine binding site 8 out of 9 in 6fgo

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Chlorine binding site 8 out of 9 in the Fc in Complex with Engineered Calcium Binding Domain Z


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Fc in Complex with Engineered Calcium Binding Domain Z within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1006

b:84.8
occ:1.00
 NZ D:LYS320 3.1 89.8 1.0
CE2 D:TYR278 3.7 86.2 1.0
CD2 D:TYR278 3.8 84.5 1.0
CZ D:TYR278 3.9 85.7 1.0
CG D:TYR278 4.1 83.2 1.0
CE D:LYS320 4.1 88.0 1.0
CD D:LYS320 4.1 87.8 1.0
CE1 D:TYR278 4.2 84.3 1.0
CD1 D:TYR278 4.2 82.6 1.0
OH D:TYR278 4.5 86.0 1.0
O D:GLY281 4.9 91.6 1.0
CB D:TYR278 4.9 82.1 1.0
OE2 D:GLU333 4.9 95.3 1.0

Chlorine binding site 9 out of 9 in 6fgo

Go back to Chlorine Binding Sites List in 6fgo
Chlorine binding site 9 out of 9 in the Fc in Complex with Engineered Calcium Binding Domain Z


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Fc in Complex with Engineered Calcium Binding Domain Z within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1007

b:81.2
occ:1.00
 NZ D:LYS334 3.5 82.3 1.0
CE D:LYS334 3.7 81.2 1.0
N D:VAL240 3.7 94.5 1.0
CB D:SER239 3.9 90.7 1.0
CA D:SER239 3.9 90.2 1.0
O D:VAL240 4.1 93.7 1.0
C D:SER239 4.4 90.4 1.0
CD1 D:ILE332 4.4 79.2 1.0
CG2 D:ILE332 4.5 76.6 1.0
CA D:VAL240 4.8 94.9 1.0
C D:VAL240 4.9 94.3 1.0
O D:PRO238 5.0 87.4 1.0

Reference:

S.Kanje, R.Venskutonyte, J.Scheffel, J.Nilvebrant, K.Lindkvist-Petersson, S.Hober. Protein Engineering Allows For Mild Affinity-Based Elution of Therapeutic Antibodies. J. Mol. Biol. V. 430 3427 2018.
ISSN: ESSN 1089-8638
PubMed: 29886013
DOI: 10.1016/J.JMB.2018.06.004
Page generated: Sat Jul 27 23:14:34 2024

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