Cadmium in PDB 7sbz: JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422

The structure of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422, PDB code: 7sbz was solved by C.Chesterman, E.Malito, M.J.Bottomley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.27 / 2.90
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	167.66, 167.66, 313.16, 90, 90, 90
R / Rfree (%)	24.8 / 29.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 25;

Binding sites:

The binding sites of Cadmium atom in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 (pdb code 7sbz). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 25 binding sites of Cadmium where determined in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422, PDB code: 7sbz:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:130.6 occ:0.51 OE1 A:GLU10 2.8 116.4 1.0 OE2 A:GLU10 3.6 123.7 1.0 CD A:GLU10 3.6 106.5 1.0 CB A:PRO7 4.8 70.2 1.0 CG A:GLU10 5.0 84.4 1.0

Cadmium binding site 2 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd301 b:174.1 occ:1.00 CG2 B:ILE122 3.8 76.9 1.0 O B:ILE122 4.2 60.5 1.0 CD B:LYS212 4.2 71.5 1.0 CB H:ASP139 4.6 124.4 1.0 SG A:CYS137 4.6 110.8 1.0 N B:ILE122 4.7 70.2 1.0 O H:ASP139 4.7 123.3 1.0 OD1 H:ASP139 4.7 130.4 1.0 CE B:LYS212 4.9 71.4 1.0 CG2 H:THR141 5.0 120.5 1.0

Cadmium binding site 3 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd302 b:167.3 occ:1.00 OE2 B:GLU84 2.6 120.9 1.0 NH2 B:ARG66 3.2 115.6 1.0 CD B:GLU84 3.5 117.1 1.0 OE1 B:GLU84 3.7 108.1 1.0 CZ B:ARG66 4.4 110.9 1.0 OE1 B:GLU86 4.6 138.6 1.0 NH1 B:ARG66 4.8 108.4 1.0 CG B:GLU84 4.9 99.0 1.0

Cadmium binding site 4 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd303 b:157.0 occ:1.00 OE2 B:GLU17 2.6 97.1 1.0 CD B:GLU17 3.7 96.0 1.0 OE1 B:GLU17 4.1 89.4 1.0 CG B:GLU17 4.9 77.3 1.0

Cadmium binding site 5 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cd301 b:151.4 occ:0.64 NZ H:LYS214 3.1 89.0 1.0 CE H:LYS214 3.4 95.4 1.0 OD2 H:ASP216 3.5 112.2 1.0 OD1 H:ASN205 3.9 90.7 1.0 CG H:ASP216 4.2 101.2 1.0 CG H:ASN205 4.2 79.8 1.0 CB H:ASP216 4.5 60.7 1.0 CD H:LYS214 4.7 76.0 1.0 ND2 H:ASN205 4.8 76.6 1.0 CB H:ASN205 4.8 75.1 1.0

Cadmium binding site 6 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cd302 b:100.2 occ:0.46 OE1 H:GLU10 2.9 111.8 1.0 OE2 H:GLU10 3.2 115.8 1.0 CD H:GLU10 3.4 102.7 1.0 CB H:PRO7 4.6 74.2 1.0 O H:ALA9 4.7 73.1 1.0 CG H:GLU10 4.7 85.9 1.0

Cadmium binding site 7 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cd301 b:134.6 occ:0.78 OE1 L:GLU190 2.7 106.8 1.0 NE2 L:HIS194 3.0 91.8 1.0 CE1 L:HIS194 3.3 102.2 1.0 CD L:GLU190 3.7 113.9 1.0 OE2 L:GLU190 3.9 108.2 1.0 CD2 L:HIS194 4.3 74.1 1.0 ND1 L:HIS194 4.6 88.1 1.0

Cadmium binding site 8 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cd302 b:180.8 occ:1.00 OE1 L:GLU84 2.8 124.8 1.0 OE2 L:GLU84 2.9 126.6 1.0 CD L:GLU84 3.2 127.1 1.0 NH2 L:ARG82 4.0 101.3 1.0 CG L:GLU84 4.7 113.9 1.0 NH1 L:ARG66 4.8 110.2 1.0 OE2 L:GLU86 4.8 134.1 1.0

Cadmium binding site 9 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cd303 b:178.2 occ:1.00 NH1 L:ARG193 3.2 117.7 1.0 CZ L:ARG193 4.3 123.0 1.0 O L:GLU192 4.4 81.3 1.0 NH2 L:ARG193 5.0 77.2 1.0

Cadmium binding site 10 out of 25 in the JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 10 of JAR5 Fab Bound to Fhbp V1.1 Crystallized in Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cd304 b:139.5 occ:1.00 OD2 L:ASP172 2.8 77.1 1.0 OD1 L:ASP172 2.9 104.6 1.0 CG L:ASP172 3.1 83.8 1.0 N H:GLY171 4.1 95.1 1.0 NE2 H:HIS173 4.2 89.7 1.0 O H:SER169 4.2 132.0 1.0 CA H:GLY171 4.3 93.5 1.0 CB L:LYS174 4.4 71.0 1.0 CB L:ASP172 4.4 66.4 1.0 O H:VAL172 4.6 72.8 1.0 N H:VAL172 4.6 75.4 1.0 CD2 H:HIS173 4.7 77.5 1.0 C H:GLY171 4.9 87.8 1.0 OD2 L:ASP175 4.9 99.9 1.0 CE1 H:HIS173 5.0 79.0 1.0

C.Chesterman, T.Desautels, L.J.Sierra, K.Arrildt, A.Zemla, E.Y.Lau, S.Sundaram, J.Laliberte, L.Chen, A.Ruby, M.Mednikov, S.Bertholet, D.Yu, K.Luisi, E.Malito, C.Mallet, M.J.Bottomley, R.A.Van Den Berg, D.Faissol. Active Learning For Rapid Design: An Iterative Ai Approach For Accelerated Vaccine Design That Combines Active Machine Learning and High-Throughput Experimental Evaluation To Be Published.