Atomistry » Potassium » PDB 8vj8-9bz1 » 9b76
Atomistry »
  Potassium »
    PDB 8vj8-9bz1 »
      9b76 »

Potassium in PDB 9b76: Crystal Structure of Humanized 44H10 Fab Version 21

Protein crystallography data

The structure of Crystal Structure of Humanized 44H10 Fab Version 21, PDB code: 9b76 was solved by A.Kassardjian, J.P.Julien, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.87 / 1.73
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 36.701, 86.068, 67.447, 90, 105.73, 90
R / Rfree (%) 17.5 / 21.2

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Humanized 44H10 Fab Version 21 (pdb code 9b76). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 10 binding sites of Potassium where determined in the Crystal Structure of Humanized 44H10 Fab Version 21, PDB code: 9b76:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 1 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:K301

b:26.6
occ:1.00
 O H:HOH441 2.8 40.5 1.0
O H:THR73 2.8 45.2 1.0
N H:LEU29 3.4 21.9 1.0
C H:THR73 3.7 40.6 1.0
OG H:SER76 3.8 38.0 1.0
CA H:THR73 3.8 32.6 1.0
CB H:LEU29 3.9 22.9 1.0
CA H:SER76 3.9 23.5 1.0
CG H:LEU29 4.0 19.8 1.0
CA H:SER28 4.1 20.4 1.0
CB H:THR73 4.2 40.5 1.0
CD1 H:LEU29 4.2 22.1 1.0
C H:SER28 4.2 24.4 1.0
CA H:LEU29 4.2 20.4 1.0
OG H:SER28 4.3 28.0 1.0
CB H:SER76 4.3 25.2 1.0
N H:SER76 4.4 24.9 1.0
O H:PHE27 4.6 24.2 1.0
CB H:SER28 4.6 24.7 1.0
CG2 H:THR73 4.8 30.5 1.0
N H:SER74 5.0 39.6 1.0

Potassium binding site 2 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 2 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:K302

b:83.6
occ:1.00
 O H:GLY8 2.9 38.4 1.0
OG1 H:THR107 2.9 34.4 1.0
CG1 H:VAL10 3.3 44.4 1.0
N H:GLY8 3.6 41.8 1.0
C H:GLY8 3.9 55.8 1.0
CA H:SER7 4.0 22.6 1.0
CB H:THR107 4.0 28.4 1.0
C H:SER7 4.1 29.7 1.0
CA H:GLY8 4.4 43.4 1.0
CG2 H:THR107 4.6 24.4 1.0
O H:GLU6 4.7 24.7 1.0
CB H:VAL10 4.8 40.0 1.0
CB H:SER7 4.8 36.3 1.0
O H:HOH470 4.9 50.5 1.0
N H:SER7 4.9 21.9 1.0

Potassium binding site 3 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 3 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K302

b:37.7
occ:1.00
 ND2 L:ASN137 3.6 44.3 1.0
OG L:SER114 3.7 46.6 1.0
CB L:SER114 3.8 33.5 1.0
CG2 H:THR183 4.1 39.1 1.0
CE1 L:PHE116 4.2 41.5 1.0
CZ L:PHE116 4.2 41.3 1.0
CB L:ASN137 4.2 33.1 1.0
ND2 L:ASN138 4.3 42.2 1.0
OG1 H:THR135 4.3 59.1 1.0
CG L:ASN137 4.5 38.8 1.0
CG2 H:THR135 4.7 66.8 1.0
CB H:THR183 4.8 44.0 1.0
OG1 H:THR183 4.9 40.7 1.0

Potassium binding site 4 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 4 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K303

b:42.0
occ:1.00
 OE1 L:GLN160 2.7 61.9 1.0
O H:HOH504 2.8 59.5 1.0
O L:HOH541 3.0 50.3 1.0
O L:HOH419 3.6 34.2 1.0
CD L:GLN160 3.7 60.0 1.0
CB L:GLN160 3.8 29.6 1.0
CG L:GLN160 4.1 35.0 1.0
CB L:THR178 4.3 34.8 1.0
CG2 L:THR178 4.5 35.5 1.0
CG1 H:VAL169 4.5 48.8 1.0
OE1 H:GLN171 4.5 65.5 1.0
CG H:GLN171 4.5 56.2 1.0
CB H:VAL169 4.6 47.4 1.0
CB H:SER177 4.6 34.6 1.0
OG H:SER177 4.7 59.0 1.0
NE2 L:GLN160 4.7 53.8 1.0
OG1 L:THR178 4.8 30.9 1.0
OG1 L:THR180 4.9 44.9 1.0
CD H:GLN171 4.9 63.6 1.0
O L:HOH492 5.0 25.8 1.0
O L:THR178 5.0 30.8 1.0

Potassium binding site 5 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 5 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K304

b:38.4
occ:1.00
 N L:VAL110 3.6 27.8 1.0
O L:HOH416 3.8 35.8 1.0
CG2 L:VAL110 4.1 23.5 1.0
CB L:VAL110 4.1 26.2 1.0
CA L:THR109 4.2 29.2 1.0
CB L:THR109 4.2 26.7 1.0
C L:THR109 4.4 29.1 1.0
CA L:VAL110 4.5 30.9 1.0
CG2 L:THR109 4.5 29.9 1.0

Potassium binding site 6 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 6 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K305

b:45.1
occ:1.00
 CA L:GLN199 3.7 34.0 1.0
N L:GLN199 3.9 28.2 1.0
CB L:GLN199 4.1 24.5 1.0
C L:HIS198 4.1 34.4 1.0
O L:HIS198 4.3 32.6 1.0
CG2 L:THR197 4.4 35.2 1.0
CA L:HIS198 4.9 27.9 1.0
O L:HOH489 4.9 25.2 1.0
C L:GLN199 5.0 32.5 1.0
N L:HIS198 5.0 28.4 1.0

Potassium binding site 7 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 7 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K306

b:45.7
occ:1.00
 N L:ILE117 3.6 34.0 1.0
CA L:PHE116 3.9 29.1 1.0
O L:ILE117 4.0 31.8 1.0
CD2 L:PHE116 4.0 42.2 1.0
CB L:PHE116 4.2 30.2 1.0
NZ L:LYS207 4.3 68.0 1.0
C L:PHE116 4.3 29.7 1.0
CG2 L:ILE117 4.5 36.1 1.0
CG L:PHE116 4.6 43.5 1.0
CA L:ILE117 4.7 31.0 1.0
O L:VAL115 4.7 34.8 1.0
C L:ILE117 4.8 34.3 1.0

Potassium binding site 8 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 8 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K307

b:62.7
occ:1.00
 N L:VAL115 3.5 32.1 1.0
CA L:SER114 4.0 34.0 1.0
CE L:LYS207 4.2 62.1 1.0
C L:SER114 4.3 33.9 1.0
CG1 L:VAL205 4.3 52.9 1.0
O L:PRO113 4.3 33.2 1.0
O L:VAL115 4.4 34.8 1.0
CB L:VAL115 4.4 32.1 1.0
CA L:VAL115 4.4 29.2 1.0
NZ L:LYS207 4.5 68.0 1.0
CG2 L:VAL115 4.6 32.0 1.0
CB L:SER114 4.8 33.5 1.0
C L:VAL115 4.9 33.6 1.0

Potassium binding site 9 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 9 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K308

b:74.2
occ:1.00
 CB L:ASN93 3.9 36.7 1.0
O L:HOH457 4.1 43.3 1.0
ND2 L:ASN93 4.3 35.4 1.0
CG L:ASN93 4.5 32.4 1.0
O L:THR92 5.0 24.7 1.0

Potassium binding site 10 out of 10 in 9b76

Go back to Potassium Binding Sites List in 9b76
Potassium binding site 10 out of 10 in the Crystal Structure of Humanized 44H10 Fab Version 21


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of Crystal Structure of Humanized 44H10 Fab Version 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K309

b:69.7
occ:1.00
 O L:GLY68 3.2 56.1 1.0
N L:ILE29 3.2 28.3 1.0
OE1 L:GLU28 3.3 70.8 1.0
CD L:GLU28 3.6 60.1 1.0
CG2 L:THR69 3.7 60.6 1.0
CA L:GLU28 3.7 36.9 1.0
OE2 L:GLU28 3.8 61.2 1.0
CG1 L:ILE29 3.8 21.5 1.0
CA L:THR69 3.8 56.6 1.0
O L:SER30 3.8 38.8 1.0
C L:GLU28 4.0 26.6 1.0
CE1 L:PHE71 4.0 33.4 1.0
C L:GLY68 4.0 54.2 1.0
N L:SER30 4.1 29.9 1.0
CZ L:PHE71 4.1 28.0 1.0
O L:GLN27 4.2 33.8 1.0
CA L:ILE29 4.2 26.3 1.0
N L:THR69 4.3 59.7 1.0
CB L:THR69 4.3 47.6 1.0
CG L:GLU28 4.4 41.9 1.0
C L:ILE29 4.4 30.8 1.0
CB L:GLU28 4.6 44.5 1.0
CB L:ILE29 4.6 21.8 1.0
N L:GLU28 4.6 37.2 1.0
NH1 L:ARG66 4.7 71.9 1.0
C L:SER30 4.7 45.6 1.0
CA L:SER30 4.8 33.5 1.0
C L:GLN27 4.8 42.4 1.0
C L:THR69 4.8 35.6 1.0
CB L:ALA25 4.9 27.0 1.0
CD1 L:ILE29 5.0 19.8 1.0

Reference:

A.Kassardjian, D.Ivanochko, B.Barber, A.Jetha, J.P.Julien. Humanization of Pan-Hla-Dr Mab 44H10 Hinges on Critical Residues in the Antibody Framework. Antibodies V. 13 2024.
ISSN: ISSN 2073-4468
PubMed: 39051333
DOI: 10.3390/ANTIB13030057
Page generated: Tue Aug 13 01:21:31 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy