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Calcium in PDB 4jcl: Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution

Enzymatic activity of Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution:
2.4.1.19;

Protein crystallography data

The structure of Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution, PDB code: 4jcl was solved by L.Wu, J.Zhou, J.Wu, J.Li, J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.45 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.871, 78.559, 136.820, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 20.7

Other elements in 4jcl:

The structure of Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution (pdb code 4jcl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution, PDB code: 4jcl:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4jcl

Go back to Calcium Binding Sites List in 4jcl
Calcium binding site 1 out of 4 in the Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca701

b:21.9
occ:1.00
 OD1 A:ASN33 2.3 24.9 1.0
OD2 A:ASP53 2.4 22.7 1.0
OD1 A:ASN32 2.5 22.8 1.0
OD1 A:ASP27 2.5 24.6 1.0
O A:GLY51 2.5 25.8 1.0
O A:ASP29 2.5 24.7 1.0
O A:HOH839 2.6 22.8 1.0
CG A:ASP53 3.4 22.0 1.0
CG A:ASP27 3.4 29.7 1.0
C A:ASP29 3.5 25.5 1.0
CG A:ASN33 3.5 28.6 1.0
C A:GLY51 3.6 26.8 1.0
CG A:ASN32 3.6 29.9 1.0
CB A:ASP53 3.9 21.5 1.0
OD2 A:ASP27 4.0 26.7 1.0
CA A:GLY51 4.0 20.6 1.0
N A:ASN33 4.1 25.1 1.0
ND2 A:ASN32 4.1 25.1 1.0
N A:ASP29 4.2 25.4 1.0
O A:ALA111 4.2 24.4 1.0
CA A:ARG30 4.3 28.7 1.0
N A:ARG30 4.3 27.7 1.0
ND2 A:ASN33 4.3 25.0 1.0
CA A:ASP29 4.3 24.3 1.0
CA A:ASN33 4.4 23.8 1.0
OD1 A:ASP53 4.4 21.4 1.0
CB A:ASP27 4.4 22.5 1.0
C A:ASN32 4.4 29.1 1.0
CA A:ASP27 4.5 23.9 1.0
CB A:ASN33 4.6 29.0 1.0
CB A:ASP29 4.7 24.0 1.0
C A:ARG30 4.7 22.6 1.0
N A:GLY52 4.7 21.7 1.0
N A:ASN32 4.7 26.0 1.0
C A:GLY52 4.7 24.8 1.0
CB A:ASN32 4.8 24.8 1.0
N A:ASP53 4.8 20.5 1.0
N A:GLY28 4.8 22.5 1.0
O A:HOH811 4.8 20.4 1.0
CA A:ASN32 4.9 23.1 1.0
C A:ASP27 4.9 32.7 1.0
O A:ASN32 4.9 25.6 1.0
O A:GLY52 4.9 22.2 1.0
O A:ARG30 5.0 24.7 1.0
CA A:ASP53 5.0 23.1 1.0

Calcium binding site 2 out of 4 in 4jcl

Go back to Calcium Binding Sites List in 4jcl
Calcium binding site 2 out of 4 in the Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca702

b:21.7
occ:1.00
 O A:ASN62 2.4 24.0 1.0
O A:HOH1086 2.4 28.3 1.0
O A:HOH1085 2.5 23.9 1.0
C A:ASN62 3.5 22.8 1.0
CA A:ASN62 4.1 20.1 1.0
O A:ILE61 4.5 22.7 1.0
N A:GLY64 4.5 21.5 1.0
N A:ASP63 4.5 23.7 1.0
O A:HOH1087 4.6 30.8 1.0
NE2 A:HIS128 4.6 27.2 1.0
C A:ASP63 4.7 26.8 1.0
CA A:ASP63 4.7 23.5 1.0
CA A:GLY64 4.9 20.2 1.0
CB A:ASN62 5.0 22.2 1.0

Calcium binding site 3 out of 4 in 4jcl

Go back to Calcium Binding Sites List in 4jcl
Calcium binding site 3 out of 4 in the Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca703

b:20.9
occ:1.00
 OD1 A:ASN139 2.4 20.3 1.0
O A:HIS233 2.5 19.0 1.0
O A:HOH1053 2.5 21.9 1.0
O A:HOH1054 2.5 20.0 1.0
O A:HOH1052 2.5 19.4 1.0
OD2 A:ASP199 2.6 21.5 1.0
OD1 A:ASP199 2.6 20.5 1.0
O A:ILE190 2.6 22.7 1.0
CG A:ASP199 2.9 23.7 1.0
CG A:ASN139 3.5 24.7 1.0
C A:HIS233 3.6 22.2 1.0
C A:ILE190 3.6 21.9 1.0
ND2 A:ASN139 4.0 21.0 1.0
CA A:ILE190 4.2 19.2 1.0
O A:ASN139 4.3 23.2 1.0
CB A:ASP199 4.4 18.9 1.0
O A:LYS192 4.4 24.6 1.0
CA A:MET234 4.4 19.4 1.0
N A:MET234 4.5 21.1 1.0
O A:GLY189 4.5 22.4 1.0
O A:HOH805 4.5 21.8 1.0
CB A:HIS233 4.6 18.6 1.0
CG A:MET234 4.6 21.3 1.0
CA A:HIS233 4.6 22.6 1.0
O A:ILE200 4.7 22.3 1.0
CG2 A:ILE190 4.7 20.4 1.0
CB A:ASN139 4.7 22.3 1.0
N A:TYR191 4.8 22.5 1.0
ND1 A:HIS176 4.8 24.3 1.0
O A:HOH858 5.0 20.0 1.0

Calcium binding site 4 out of 4 in 4jcl

Go back to Calcium Binding Sites List in 4jcl
Calcium binding site 4 out of 4 in the Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca704

b:24.7
occ:1.00
 OD2 A:ASP264 2.5 25.4 1.0
OE2 A:GLU292 2.5 27.0 1.0
O A:HOH852 2.5 28.9 1.0
OE2 A:GLU299 2.5 25.9 1.0
OE2 A:GLU289 2.6 22.2 1.0
OE1 A:GLU299 2.6 28.2 1.0
O A:HOH857 2.8 51.8 1.0
CD A:GLU299 2.9 27.7 1.0
O A:HOH828 3.2 32.1 1.0
CD A:GLU289 3.6 26.2 1.0
CD A:GLU292 3.6 26.4 1.0
CG A:ASP264 3.7 28.2 1.0
OE1 A:GLU289 3.9 25.6 1.0
OE1 A:GLU292 4.0 24.0 1.0
CA A:ASP264 4.3 23.7 1.0
CG A:GLU299 4.4 26.8 1.0
N A:ASP264 4.4 28.6 1.0
OD1 A:ASP264 4.5 30.4 1.0
CB A:ASP264 4.5 25.3 1.0
O A:HOH885 4.6 43.7 1.0
O A:HOH936 4.7 24.1 1.0
CG A:GLU292 4.8 25.1 1.0
O A:HOH1185 4.9 52.7 1.0
CG A:GLU289 4.9 24.7 1.0

Reference:

L.Wu, J.Zhou, J.Wu, J.Li. Crystal Structure of Alpha-Cgt From Paenibacillus Macerans at 1.7 Angstrom Resolution To Be Published.
Page generated: Tue Jul 8 23:07:21 2025

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