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Chlorine in PDB 3zwx: Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose

Enzymatic activity of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose

All present enzymatic activity of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose:
3.2.2.5;

Protein crystallography data

The structure of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose, PDB code: 3zwx was solved by M.Kotaka, R.Graeff, L.H.Zhang, H.C.Lee, Q.Hao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.73 / 2.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 60.682, 76.818, 140.333, 87.85, 89.25, 89.12
R / Rfree (%) 20.289 / 27.148

Other elements in 3zwx:

The structure of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose also contains other interesting chemical elements:

Bromine (Br) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose (pdb code 3zwx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose, PDB code: 3zwx:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3zwx

Go back to Chlorine Binding Sites List in 3zwx
Chlorine binding site 1 out of 4 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1251

b:76.8
occ:1.00
 ND2 A:ASN242 2.5 65.9 1.0
N A:ASN244 2.8 66.5 1.0
CB A:ASN244 3.1 71.0 1.0
ND2 A:ASN244 3.1 71.7 1.0
CA A:ASN244 3.4 69.2 1.0
C A:ASN242 3.4 61.6 1.0
N A:PRO243 3.4 61.5 1.0
CG A:ASN244 3.5 72.5 1.0
CG A:ASN242 3.7 65.0 1.0
CD A:PRO243 3.7 61.0 1.0
CA A:ASN242 3.7 61.2 1.0
C A:PRO243 3.9 64.8 1.0
O A:ASN242 3.9 61.8 1.0
N A:ALA245 4.0 68.2 1.0
C A:ASN244 4.1 69.7 1.0
CA A:PRO243 4.1 62.6 1.0
CG A:PRO243 4.2 62.2 1.0
CB A:ASN242 4.3 61.6 1.0
O A:HOH2044 4.4 58.4 1.0
OD1 A:ASN242 4.6 67.0 1.0
CB A:PRO243 4.7 62.4 1.0
OD1 A:ASN244 4.7 74.9 1.0
O A:PRO243 5.0 65.3 1.0

Chlorine binding site 2 out of 4 in 3zwx

Go back to Chlorine Binding Sites List in 3zwx
Chlorine binding site 2 out of 4 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1253

b:90.9
occ:1.00
 ND2 C:ASN242 2.8 67.2 1.0
N C:ASN244 2.9 68.4 1.0
C C:ASN242 3.1 64.3 1.0
N C:PRO243 3.2 64.7 1.0
CD C:PRO243 3.3 64.8 1.0
CB C:ASN244 3.4 71.9 1.0
CA C:ASN242 3.4 64.1 1.0
O C:ASN242 3.5 64.2 1.0
CA C:ASN244 3.6 70.3 1.0
CG C:ASN242 3.6 66.5 1.0
ND2 C:ASN244 3.7 72.8 1.0
CG C:ASN244 3.8 72.7 1.0
CG C:PRO243 3.8 66.0 1.0
C C:PRO243 3.9 66.7 1.0
N C:ALA245 4.0 68.7 1.0
CA C:PRO243 4.0 65.2 1.0
CB C:ASN242 4.0 64.2 1.0
C C:ASN244 4.3 70.1 1.0
OD1 C:ASN242 4.5 69.2 1.0
CB C:PRO243 4.6 65.6 1.0
N C:ASN242 4.7 62.6 1.0
O C:ASP241 4.7 63.7 1.0
OD1 C:ASN244 4.7 72.7 1.0
O C:PRO243 5.0 66.7 1.0

Chlorine binding site 3 out of 4 in 3zwx

Go back to Chlorine Binding Sites List in 3zwx
Chlorine binding site 3 out of 4 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1253

b:91.4
occ:1.00
 N F:ASN244 3.1 65.2 1.0
CB F:ASN244 3.1 67.1 1.0
ND2 F:ASN242 3.2 63.3 1.0
OD1 F:ASN244 3.4 68.6 1.0
CG F:PRO243 3.6 62.3 1.0
CA F:ASN244 3.6 66.7 1.0
CD F:PRO243 3.7 61.5 1.0
CG F:ASN244 3.7 68.5 1.0
N F:PRO243 3.8 62.0 1.0
C F:ASN242 4.2 61.6 1.0
C F:PRO243 4.2 64.8 1.0
CA F:ASN242 4.4 60.6 1.0
CA F:PRO243 4.4 63.2 1.0
CG F:ASN242 4.5 61.9 1.0
C F:ASN244 4.6 66.9 1.0
CB F:PRO243 4.6 63.5 1.0
N F:ALA245 4.8 66.3 1.0
O F:ASN242 4.8 62.0 1.0

Chlorine binding site 4 out of 4 in 3zwx

Go back to Chlorine Binding Sites List in 3zwx
Chlorine binding site 4 out of 4 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1252

b:90.2
occ:1.00
 ND2 G:ASN244 3.1 76.0 1.0
ND2 G:ASN242 3.2 68.8 1.0
CD G:PRO243 3.6 65.4 1.0
CG G:ASN244 3.9 74.8 1.0
N G:PRO243 4.0 64.6 1.0
N G:ASN244 4.1 68.8 1.0
CA G:ASN242 4.1 63.6 1.0
CB G:ASN244 4.2 73.0 1.0
C G:ASN242 4.3 63.5 1.0
CG G:ASN242 4.4 66.8 1.0
CG G:PRO243 4.5 65.4 1.0
OD1 G:ASN244 4.7 75.2 1.0
O G:ASP241 4.7 63.1 1.0
CA G:ASN244 4.8 71.1 1.0
CB G:ASN242 4.8 63.2 1.0
CA G:PRO243 5.0 65.0 1.0

Reference:

M.Kotaka, R.Graeff, Z.Chen, L.H.Zhang, H.C.Lee, Q.Hao. Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. To Be Published.
Page generated: Sun Jul 21 08:32:50 2024

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