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Chlorine in PDB 6p4b: HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)

Enzymatic activity of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)

All present enzymatic activity of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S):
3.2.1.17;

Protein crystallography data

The structure of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S), PDB code: 6p4b 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) 34.91 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 66.397, 65.722, 137.128, 90.00, 98.48, 90.00
R / Rfree (%) 20.3 / 24.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) (pdb code 6p4b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S), PDB code: 6p4b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6p4b

Go back to Chlorine Binding Sites List in 6p4b
Chlorine binding site 1 out of 9 in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl301

b:56.2
occ:1.00
 NH2 L:ARG61 3.4 40.5 1.0
CB L:PRO59 3.4 41.5 1.0
N L:ARG61 3.4 36.6 1.0
CG L:ARG61 3.6 36.9 1.0
N L:SER60 3.6 45.6 1.0
CB L:ARG61 3.8 35.3 1.0
C L:PRO59 3.9 47.6 1.0
CA L:PRO59 4.0 43.4 1.0
CD L:ARG61 4.1 39.1 1.0
CA L:ARG61 4.2 36.8 1.0
CA L:SER60 4.3 42.8 1.0
C L:SER60 4.3 38.3 1.0
CB L:SER60 4.4 47.8 1.0
CZ L:ARG61 4.5 37.6 1.0
CG L:PRO59 4.6 43.7 1.0
O L:PRO59 4.7 41.6 1.0
NE L:ARG61 4.7 39.1 1.0
OE2 L:GLU79 5.0 48.8 1.0
O L:HOH406 5.0 45.7 1.0
O L:HOH454 5.0 42.9 1.0

Chlorine binding site 2 out of 9 in 6p4b

Go back to Chlorine Binding Sites List in 6p4b
Chlorine binding site 2 out of 9 in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl302

b:55.3
occ:1.00
 OD1 L:ASP165 3.2 57.2 1.0
CE2 L:TYR173 3.6 40.2 1.0
NZ L:LYS103 3.7 49.2 1.0
N L:GLN166 3.7 39.2 1.0
CA L:ASP165 3.7 43.6 1.0
CE L:LYS103 3.9 48.4 1.0
CG L:ASP165 4.1 49.7 1.0
CB L:ASP165 4.2 46.2 1.0
C L:ASP165 4.2 38.9 1.0
CD2 L:TYR173 4.4 39.8 1.0
OH L:TYR173 4.4 42.5 1.0
OE2 L:GLU105 4.4 63.9 1.0
O L:THR164 4.5 38.9 1.0
CZ L:TYR173 4.5 43.0 1.0
CB L:GLN166 4.7 40.7 1.0
CA L:GLN166 4.8 40.1 1.0
N L:ASP165 4.8 41.5 1.0

Chlorine binding site 3 out of 9 in 6p4b

Go back to Chlorine Binding Sites List in 6p4b
Chlorine binding site 3 out of 9 in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl303

b:56.7
occ:1.00
 NE2 L:GLN124 3.3 38.5 1.0
CA L:GLY129 3.8 47.5 1.0
CD H:LYS143 3.8 41.1 1.0
CG L:GLN124 3.9 34.5 1.0
CD L:GLN124 4.1 36.3 1.0
N L:GLY129 4.3 52.0 1.0
CE H:LYS143 4.3 46.8 1.0
OH H:TYR122 4.4 40.1 1.0
C L:GLY129 4.5 45.6 1.0
NZ H:LYS143 4.5 46.5 1.0
CG H:LYS143 4.7 41.1 1.0
CE2 H:TYR122 4.8 35.1 1.0
N L:ALA130 4.9 39.9 1.0

Chlorine binding site 4 out of 9 in 6p4b

Go back to Chlorine Binding Sites List in 6p4b
Chlorine binding site 4 out of 9 in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl304

b:65.4
occ:1.00
 OG1 L:THR180 3.6 48.4 1.0
CD1 L:LEU160 3.7 36.8 1.0
CG2 L:THR178 3.7 36.0 1.0
CG2 H:THR176 3.8 29.6 1.0
CB H:THR176 4.0 30.4 1.0
CB L:THR178 4.1 34.1 1.0
CG2 H:VAL169 4.2 31.5 0.5
CG1 H:VAL169 4.3 30.3 0.5
OG1 H:THR176 4.3 30.9 1.0
CB L:LEU160 4.5 34.8 1.0
CG L:LEU160 4.6 35.8 1.0
OG1 L:THR178 4.9 32.2 1.0
CE H:LYS143 5.0 46.8 1.0
CB L:THR180 5.0 42.2 1.0

Chlorine binding site 5 out of 9 in 6p4b

Go back to Chlorine Binding Sites List in 6p4b
Chlorine binding site 5 out of 9 in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl305

b:36.4
occ:1.00
 O L:HOH456 3.1 38.3 1.0
O L:HOH448 3.3 38.3 1.0
N L:ASP1 3.4 30.3 1.0
CA L:ASP1 4.9 30.0 1.0

Chlorine binding site 6 out of 9 in 6p4b

Go back to Chlorine Binding Sites List in 6p4b
Chlorine binding site 6 out of 9 in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:52.3
occ:1.00
 CE2 C:PHE38 3.7 19.7 1.0
O C:HOH384 3.9 44.1 1.0
CZ3 C:TRP123 3.9 25.7 1.0
CD C:ARG5 4.1 30.7 1.0
CB C:ARG5 4.2 28.9 1.0
CZ C:PHE38 4.2 19.6 1.0
CD C:LYS33 4.2 24.7 1.0
NZ C:LYS33 4.2 31.0 1.0
CE C:LYS33 4.4 28.6 1.0
CE3 C:TRP123 4.6 27.8 1.0
CG C:ARG5 4.7 28.4 1.0
NE C:ARG5 4.7 31.1 1.0
CD2 C:PHE38 4.8 20.2 1.0
CH2 C:TRP123 4.9 30.1 1.0
CG C:LYS33 4.9 25.2 1.0

Chlorine binding site 7 out of 9 in 6p4b

Go back to Chlorine Binding Sites List in 6p4b
Chlorine binding site 7 out of 9 in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:49.0
occ:1.00
 O C:HOH306 3.2 37.7 1.0
CG1 C:ILE88 3.5 26.4 1.0
N C:ILE88 3.6 28.2 1.0
CE1 C:HIS15 3.7 29.8 1.0
CA C:ASP87 4.1 35.6 1.0
NH2 C:ARG14 4.1 44.9 1.0
CZ C:PHE3 4.1 23.9 1.0
O C:SER86 4.2 30.4 1.0
OD1 C:ASP87 4.2 39.3 1.0
CB C:ALA11 4.3 21.7 1.0
CD1 C:ILE88 4.3 26.3 1.0
CB C:ILE88 4.3 26.3 1.0
C C:ASP87 4.3 28.4 1.0
CG2 C:ILE88 4.4 26.4 1.0
NE2 C:HIS15 4.4 31.6 1.0
ND1 C:HIS15 4.5 33.5 1.0
CA C:ILE88 4.5 26.5 1.0
CE2 C:PHE3 4.7 24.9 1.0
CG C:ASP87 4.9 42.9 1.0
CB C:ASP87 4.9 36.3 1.0
C C:SER86 5.0 31.6 1.0
N C:ASP87 5.0 29.5 1.0

Chlorine binding site 8 out of 9 in 6p4b

Go back to Chlorine Binding Sites List in 6p4b
Chlorine binding site 8 out of 9 in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:58.2
occ:1.00
 OG1 B:THR116 3.3 43.7 1.0
N B:THR116 3.4 39.7 1.0
CB B:THR116 3.7 41.8 1.0
CD2 B:LEU11 4.1 31.2 1.0
CA B:LYS115 4.1 38.2 1.0
CA B:THR116 4.2 41.4 1.0
C B:LYS115 4.2 39.5 1.0
O B:ALA114 4.5 35.1 1.0
O B:HOH407 4.5 27.6 1.0
CB B:LYS115 4.9 40.9 1.0
NZ B:LYS13 4.9 41.8 1.0

Chlorine binding site 9 out of 9 in 6p4b

Go back to Chlorine Binding Sites List in 6p4b
Chlorine binding site 9 out of 9 in the HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of HYHEL10 Fab Variant HYHEL10-4X (Heavy Chain Mutations L4F, Y33H, S56N, and Y58F) Bound to Hen Egg Lysozyme Variant HEL2X-Flex (Mutations R21Q, R73E, C76S, and C94S) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:42.6
occ:1.00
 N D:ILE88 3.3 23.1 1.0
CG1 D:ILE88 3.7 22.4 1.0
CA D:ASP87 3.7 28.2 1.0
CE1 D:HIS15 3.8 26.6 1.0
NH1 D:ARG14 3.8 26.0 0.5
C D:ASP87 4.0 24.4 1.0
O D:SER86 4.1 28.0 1.0
OD1 D:ASP87 4.1 38.0 1.0
CB D:ILE88 4.2 21.8 1.0
CG2 D:ILE88 4.2 23.1 1.0
CZ D:PHE3 4.3 23.2 1.0
CA D:ILE88 4.3 21.0 1.0
CG D:ASP87 4.4 35.1 1.0
CD1 D:ILE88 4.4 23.1 1.0
CB D:ALA11 4.5 17.2 1.0
ND1 D:HIS15 4.5 34.3 1.0
NE2 D:HIS15 4.6 31.5 1.0
CB D:ASP87 4.6 31.6 1.0
N D:ASP87 4.7 28.0 1.0
C D:SER86 4.8 26.7 1.0
CZ D:ARG14 4.9 27.6 0.5
CE2 D:PHE3 4.9 22.6 1.0

Reference:

D.B.Langley, D.Christ. Resolution of Self-Reactivity Upon Vaccination with A Conformationally Flexible Antigen. To Be Published.
Page generated: Mon Jul 29 13:04:35 2024

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