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Chlorine in PDB 1kxq: Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase

Enzymatic activity of Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase

All present enzymatic activity of Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase:
3.2.1.1;

Protein crystallography data

The structure of Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase, PDB code: 1kxq was solved by A.Desmyter, S.Spinelli, F.Payan, M.Lauwereys, L.Wyns, S.Muyldermans, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.79 / 1.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 65.170, 100.920, 103.740, 79.31, 72.63, 86.11
R / Rfree (%) 19.7 / 21.9

Other elements in 1kxq:

The structure of Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase (pdb code 1kxq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase, PDB code: 1kxq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1kxq

Go back to Chlorine Binding Sites List in 1kxq
Chlorine binding site 1 out of 4 in the Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4002

b:10.1
occ:1.00
 NE A:ARG195 3.2 9.1 1.0
NH1 A:ARG337 3.2 8.9 1.0
O A:HOH4048 3.2 10.0 1.0
NH2 A:ARG195 3.3 9.4 1.0
ND2 A:ASN298 3.3 9.2 1.0
NH2 A:ARG337 3.3 8.1 1.0
CZ A:ARG195 3.7 9.5 1.0
CZ A:ARG337 3.7 8.7 1.0
CG2 A:THR254 3.9 9.8 1.0
CZ A:PHE256 4.0 11.2 1.0
CG A:GLU233 4.1 11.4 1.0
CD A:ARG195 4.3 9.7 1.0
CG A:ASN298 4.3 9.5 1.0
CB A:ASN298 4.4 9.1 1.0
CB A:GLU233 4.5 10.9 1.0
CE2 A:PHE256 4.5 10.9 1.0
CZ A:PHE295 4.8 10.1 1.0
O A:HOH4028 4.8 15.7 1.0
OE1 A:GLU233 4.8 12.5 1.0
CD A:GLU233 4.8 12.4 1.0
CB A:THR254 4.9 9.9 1.0
CG A:ARG195 4.9 9.7 1.0
CE1 A:PHE256 5.0 11.0 1.0

Chlorine binding site 2 out of 4 in 1kxq

Go back to Chlorine Binding Sites List in 1kxq
Chlorine binding site 2 out of 4 in the Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl4004

b:11.7
occ:1.00
 NE B:ARG195 3.2 12.1 1.0
O B:HOH4005 3.2 11.1 1.0
NH1 B:ARG337 3.2 10.5 1.0
NH2 B:ARG195 3.3 12.2 1.0
NH2 B:ARG337 3.3 10.4 1.0
ND2 B:ASN298 3.4 10.9 1.0
CZ B:ARG195 3.7 12.3 1.0
CZ B:ARG337 3.7 11.0 1.0
CG2 B:THR254 3.9 13.0 1.0
CZ B:PHE256 4.1 12.4 1.0
CG B:GLU233 4.1 14.7 1.0
CD B:ARG195 4.3 12.8 1.0
CB B:ASN298 4.3 11.1 1.0
CG B:ASN298 4.4 11.3 1.0
CB B:GLU233 4.5 13.7 1.0
CE2 B:PHE256 4.6 12.2 1.0
CZ B:PHE295 4.8 11.9 1.0
O B:HOH4034 4.8 15.2 1.0
CD B:GLU233 4.8 15.4 1.0
CB B:THR254 4.8 13.4 1.0
OE1 B:GLU233 4.8 16.1 1.0
CG B:ARG195 4.9 12.8 1.0

Chlorine binding site 3 out of 4 in 1kxq

Go back to Chlorine Binding Sites List in 1kxq
Chlorine binding site 3 out of 4 in the Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl4006

b:11.7
occ:1.00
 NE C:ARG195 3.1 11.4 1.0
NH1 C:ARG337 3.2 12.7 1.0
O C:HOH4041 3.2 11.6 1.0
NH2 C:ARG195 3.3 11.6 1.0
NH2 C:ARG337 3.3 12.1 1.0
ND2 C:ASN298 3.3 13.4 1.0
CZ C:ARG195 3.7 11.4 1.0
CZ C:ARG337 3.7 12.6 1.0
CG2 C:THR254 3.9 12.6 1.0
CZ C:PHE256 4.0 13.4 1.0
CG C:GLU233 4.1 15.0 1.0
CD C:ARG195 4.2 11.7 1.0
CG C:ASN298 4.3 12.9 1.0
CB C:ASN298 4.3 12.9 1.0
CB C:GLU233 4.5 14.3 1.0
CE2 C:PHE256 4.5 13.7 1.0
CZ C:PHE295 4.8 14.3 1.0
CB C:THR254 4.8 12.9 1.0
CD C:GLU233 4.8 15.9 1.0
OE1 C:GLU233 4.9 17.0 1.0
O C:HOH4018 4.9 20.4 1.0
CG C:ARG195 4.9 11.7 1.0
CE1 C:PHE256 5.0 13.8 1.0
CE2 C:PHE295 5.0 14.3 1.0
NH1 C:ARG195 5.0 11.0 1.0

Chlorine binding site 4 out of 4 in 1kxq

Go back to Chlorine Binding Sites List in 1kxq
Chlorine binding site 4 out of 4 in the Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Camelid Vhh Domain in Complex with Porcine Pancreatic Alpha-Amylase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl4008

b:9.5
occ:1.00
 NE D:ARG195 3.2 8.9 1.0
NH1 D:ARG337 3.2 8.6 1.0
O D:HOH4021 3.2 10.1 1.0
ND2 D:ASN298 3.3 10.0 1.0
NH1 D:ARG195 3.3 9.5 1.0
NH2 D:ARG337 3.4 7.9 1.0
CZ D:ARG195 3.7 8.7 1.0
CZ D:ARG337 3.7 7.9 1.0
CG2 D:THR254 3.8 8.6 1.0
CG D:GLU233 4.0 11.2 1.0
CZ D:PHE256 4.0 9.5 1.0
CG D:ASN298 4.3 9.8 1.0
CD D:ARG195 4.3 8.8 1.0
CB D:ASN298 4.3 9.9 1.0
CB D:GLU233 4.4 10.2 1.0
CE2 D:PHE256 4.6 9.1 1.0
CZ D:PHE295 4.8 9.1 1.0
CD D:GLU233 4.8 12.0 1.0
CB D:THR254 4.8 8.5 1.0
O D:HOH4018 4.9 12.8 1.0
OE1 D:GLU233 4.9 12.8 1.0
CG D:ARG195 4.9 9.7 1.0
CE1 D:PHE256 5.0 9.7 1.0

Reference:

A.Desmyter, S.Spinelli, F.Payan, M.Lauwereys, L.Wyns, S.Muyldermans, C.Cambillau. Three Camelid Vhh Domains in Complex with Porcine Pancreatic Alpha-Amylase. Inhibition and Versatility of Binding Topology. J.Biol.Chem. V. 277 23645 2002.
ISSN: ISSN 0021-9258
PubMed: 11960990
DOI: 10.1074/JBC.M202327200
Page generated: Fri Jul 19 23:31:39 2024

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