Chlorine in PDB 6p4c: HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F

Protein crystallography data

The structure of HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F, PDB code: 6p4c was solved by D.B.Langley, D.Christ, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.47 / 1.85
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 68.556, 40.156, 93.649, 90.00, 107.57, 90.00
R / Rfree (%) 18.8 / 22.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F (pdb code 6p4c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F, PDB code: 6p4c:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6p4c

Go back to Chlorine Binding Sites List in 6p4c
Chlorine binding site 1 out of 7 in the HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl301

b:35.9
occ:1.00
 N L:THR14 3.2 30.7 1.0
O L:HOH450 3.3 41.2 1.0
ND2 L:ASN17 3.3 30.4 1.0
CA L:VAL13 3.7 31.7 1.0
OG1 L:THR14 3.8 32.2 1.0
CG2 L:VAL13 3.9 29.7 1.0
C L:VAL13 3.9 34.5 1.0
CB L:THR14 4.0 31.6 1.0
CB L:ASN17 4.1 27.1 1.0
CG L:ASN17 4.2 30.6 1.0
CA L:THR14 4.2 30.4 1.0
CB L:VAL13 4.3 31.4 1.0
O L:SER12 4.4 34.3 1.0
O L:THR14 4.7 34.9 1.0
N L:VAL13 4.8 32.0 1.0
C L:THR14 4.9 29.9 1.0
C L:SER12 5.0 35.4 1.0

Chlorine binding site 2 out of 7 in 6p4c

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Chlorine binding site 2 out of 7 in the HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl302

b:62.1
occ:1.00
 N L:THR182 3.4 36.9 1.0
CB L:GLU185 3.5 35.9 1.0
CA L:LEU181 3.6 41.4 1.0
OG1 L:THR182 3.8 36.1 1.0
C L:LEU181 3.9 38.4 1.0
CD2 L:LEU181 4.0 48.9 1.0
CG2 L:THR182 4.1 43.8 1.0
CB L:LEU181 4.1 40.0 1.0
CB L:THR182 4.3 40.8 1.0
CA L:THR182 4.4 36.4 1.0
NH2 L:ARG155 4.5 62.1 1.0
CG L:LEU181 4.7 46.1 1.0
O L:THR180 4.8 40.7 1.0
N L:LEU181 4.8 37.7 1.0
O L:THR182 4.9 33.7 1.0
CA L:GLU185 4.9 34.7 1.0

Chlorine binding site 3 out of 7 in 6p4c

Go back to Chlorine Binding Sites List in 6p4c
Chlorine binding site 3 out of 7 in the HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl303

b:60.5
occ:1.00
 OG L:SER191 2.9 54.2 1.0
OG1 L:THR193 3.2 51.0 1.0
O L:LYS149 3.4 41.4 1.0
N L:GLY152 3.5 60.1 1.0
N L:ASP151 3.5 51.4 1.0
O L:SER191 3.6 40.3 1.0
CB L:THR193 3.7 45.9 1.0
C L:SER191 3.7 37.7 1.0
C L:LYS149 3.7 48.8 1.0
N L:TYR192 3.9 37.8 1.0
CB L:LYS149 3.9 55.4 1.0
N L:THR193 3.9 38.0 1.0
CB L:SER191 3.9 48.8 1.0
C L:ILE150 4.0 48.2 1.0
C L:TYR192 4.1 33.1 1.0
N L:ILE150 4.1 43.9 1.0
CA L:TYR192 4.1 33.1 1.0
CA L:ASP151 4.1 58.7 1.0
CA L:ILE150 4.1 45.8 1.0
C L:ASP151 4.3 59.9 1.0
CA L:GLY152 4.3 61.2 1.0
CA L:SER191 4.4 43.5 1.0
CA L:LYS149 4.4 49.8 1.0
CA L:THR193 4.5 41.7 1.0
OG L:SER208 4.6 64.4 1.0
O L:TYR192 4.7 37.0 1.0
CG2 L:THR193 4.9 49.6 1.0
O L:ILE150 4.9 51.8 1.0

Chlorine binding site 4 out of 7 in 6p4c

Go back to Chlorine Binding Sites List in 6p4c
Chlorine binding site 4 out of 7 in the HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl301

b:67.5
occ:1.00
 N H:THR87 3.4 42.1 1.0
CA H:THR86 3.6 40.6 1.0
CB H:THR86 3.7 45.8 1.0
CG2 H:THR87 3.8 52.9 1.0
C H:THR86 3.9 41.6 1.0
CB H:PRO14 4.0 44.6 1.0
OG1 H:THR87 4.2 50.2 1.0
CG H:PRO14 4.3 45.9 1.0
CB H:THR87 4.4 46.4 1.0
CA H:THR87 4.5 46.5 1.0
CG2 H:THR86 4.5 48.9 1.0
OG1 H:THR86 4.7 47.2 1.0
N H:THR86 4.9 38.6 1.0
CA H:PRO14 5.0 41.4 1.0

Chlorine binding site 5 out of 7 in 6p4c

Go back to Chlorine Binding Sites List in 6p4c
Chlorine binding site 5 out of 7 in the HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl302

b:40.5
occ:1.00
 OH H:TYR145 3.1 30.1 1.0
N H:VAL150 3.3 31.3 1.0
CA H:PRO149 3.5 36.1 1.0
CG H:GLU148 3.6 41.6 1.0
OE1 H:GLU148 3.8 57.4 1.0
CB H:ALA168 3.9 34.0 1.0
CZ H:TYR145 3.9 27.1 1.0
CE2 H:TYR145 3.9 27.0 1.0
C H:PRO149 3.9 31.4 1.0
CD2 H:LEU177 3.9 35.8 1.0
CB H:PRO149 4.0 35.0 1.0
O H:HOH420 4.0 52.0 1.0
CB H:GLU148 4.1 36.2 1.0
O H:VAL150 4.1 34.7 1.0
CD H:GLU148 4.1 48.2 1.0
CG2 H:VAL150 4.2 34.2 1.0
CA H:GLU148 4.4 34.2 1.0
CA H:VAL150 4.5 33.1 1.0
N H:PRO149 4.7 31.7 1.0
C H:VAL150 4.8 33.3 1.0
CB H:VAL150 4.8 30.7 1.0

Chlorine binding site 6 out of 7 in 6p4c

Go back to Chlorine Binding Sites List in 6p4c
Chlorine binding site 6 out of 7 in the HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl303

b:47.7
occ:1.00
 O H:HOH460 3.1 53.5 1.0
OG H:SER156 3.1 47.2 1.0
O H:HOH450 3.2 56.2 1.0
ND2 H:ASN196 3.3 35.6 1.0
N H:SER156 3.5 39.3 1.0
CA H:ASN155 3.5 32.7 1.0
C H:ASN155 3.6 38.4 1.0
CG2 H:THR194 3.9 31.9 1.0
CB H:THR194 3.9 30.2 1.0
OD1 H:ASN196 4.0 43.1 1.0
CG H:ASN196 4.0 36.7 1.0
CB H:SER156 4.2 46.8 1.0
N H:ASN155 4.3 30.0 1.0
CA H:SER156 4.4 40.2 1.0
O H:ASN155 4.4 36.9 1.0
OD1 H:ASN155 4.5 33.2 1.0
OG1 H:THR194 4.6 32.9 1.0
O H:HOH407 4.6 36.8 1.0
CB H:ASN155 4.6 30.9 1.0
O H:THR194 4.9 28.9 1.0
CG H:ASN155 5.0 36.7 1.0

Chlorine binding site 7 out of 7 in 6p4c

Go back to Chlorine Binding Sites List in 6p4c
Chlorine binding site 7 out of 7 in the HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of HYHEL10 Fab Carrying Four Heavy Chain Mutations (HYHEL10-4X): L4F, Y33H, S56N, and Y58F within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl304

b:80.7
occ:1.00
 N H:GLY26 3.5 63.4 1.0
CA H:THR25 3.8 58.9 1.0
ND2 H:ASN76 3.9 72.7 1.0
C H:THR25 4.1 60.4 1.0
O H:VAL24 4.3 42.5 1.0
CB H:THR25 4.4 67.0 1.0
O H:ASP27 4.4 79.1 1.0
CA H:GLY26 4.5 67.2 1.0
N H:ASP27 4.6 76.7 1.0
N H:THR25 4.8 49.5 1.0
CG H:ASN76 4.9 62.3 1.0
CG2 H:THR25 4.9 63.5 1.0
C H:VAL24 5.0 43.1 1.0

Reference:

D.B.Langley, D.Christ. Resolution of Self-Reactivity Upon Vaccination with A Conformationally Flexible Antigen. To Be Published.
Page generated: Sat Dec 12 13:28:48 2020

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