Chlorine in PDB 8big: O-Methyltransferase PLU4895 in Complex with Sah

Protein crystallography data

The structure of O-Methyltransferase PLU4895 in Complex with Sah, PDB code: 8big was solved by E.M.Huber, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.06, 95.9, 522.99, 90, 90, 90
R / Rfree (%) 24.2 / 28.8

Other elements in 8big:

The structure of O-Methyltransferase PLU4895 in Complex with Sah also contains other interesting chemical elements:

Nickel (Ni) 4 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the O-Methyltransferase PLU4895 in Complex with Sah (pdb code 8big). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the O-Methyltransferase PLU4895 in Complex with Sah, PDB code: 8big:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8big

Go back to Chlorine Binding Sites List in 8big
Chlorine binding site 1 out of 3 in the O-Methyltransferase PLU4895 in Complex with Sah


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of O-Methyltransferase PLU4895 in Complex with Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:65.9
occ:1.00
 OG1 A:THR257 2.9 54.4 1.0
N A:HIS229 3.2 51.7 1.0
N A:LEU228 3.4 50.7 1.0
CB A:THR257 3.4 53.6 1.0
O A:HOH508 3.4 50.8 1.0
N A:VAL227 3.5 50.7 1.0
CB A:HIS229 3.7 52.3 1.0
CA A:ASN226 3.7 51.2 1.0
CD2 A:HIS229 3.8 52.3 1.0
CG A:HIS229 3.9 52.2 1.0
C A:ASN226 3.9 51.1 1.0
N A:ASN226 3.9 51.0 1.0
CB A:LEU228 3.9 50.7 1.0
CA A:LEU228 4.0 51.0 1.0
C A:LEU228 4.0 51.6 1.0
CA A:HIS229 4.1 52.2 1.0
C A:VAL227 4.2 50.9 1.0
CA A:THR257 4.2 53.3 1.0
O A:ILE256 4.2 50.0 1.0
CA A:VAL227 4.5 50.6 1.0
CG2 A:THR257 4.7 53.6 1.0
CZ A:PHE288 4.7 53.7 1.0
CG A:LEU228 4.8 50.5 1.0
OD1 A:ASN226 4.8 53.5 1.0
NE2 A:HIS229 4.8 52.4 1.0
ND1 A:HIS229 4.9 52.1 1.0
O A:ASN226 5.0 52.1 1.0
CB A:ASN226 5.0 51.5 1.0
C A:ILE256 5.0 50.3 1.0

Chlorine binding site 2 out of 3 in 8big

Go back to Chlorine Binding Sites List in 8big
Chlorine binding site 2 out of 3 in the O-Methyltransferase PLU4895 in Complex with Sah


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of O-Methyltransferase PLU4895 in Complex with Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl404

b:63.9
occ:1.00
 OG1 D:THR257 2.9 62.4 1.0
N D:HIS229 3.3 53.0 1.0
CB D:THR257 3.4 61.3 1.0
N D:LEU228 3.5 53.4 1.0
CB D:HIS229 3.7 52.7 1.0
N D:VAL227 3.8 55.0 1.0
CA D:ASN226 3.8 56.1 1.0
CB D:LEU228 3.9 52.6 1.0
CG D:HIS229 3.9 52.6 1.0
CD2 D:HIS229 3.9 52.5 1.0
CA D:LEU228 4.0 53.0 1.0
C D:LEU228 4.0 52.9 1.0
CA D:THR257 4.0 60.9 1.0
CA D:HIS229 4.1 53.2 1.0
C D:ASN226 4.1 55.6 1.0
N D:ASN226 4.1 56.8 1.0
C D:VAL227 4.3 54.2 1.0
O D:ILE256 4.3 58.5 1.0
CA D:VAL227 4.7 54.6 1.0
CG2 D:THR257 4.7 61.4 1.0
OD1 D:ASN226 4.7 57.3 1.0
CZ D:PHE288 4.7 58.6 1.0
CG D:LEU228 4.8 52.7 1.0
N D:THR257 4.9 59.8 1.0
C D:ILE256 4.9 58.7 1.0
NE2 D:HIS229 5.0 52.5 1.0
ND1 D:HIS229 5.0 52.5 1.0

Chlorine binding site 3 out of 3 in 8big

Go back to Chlorine Binding Sites List in 8big
Chlorine binding site 3 out of 3 in the O-Methyltransferase PLU4895 in Complex with Sah


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of O-Methyltransferase PLU4895 in Complex with Sah within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl402

b:103.7
occ:1.00
 N H:MET259 2.6 101.8 1.0
OG H:SER310 2.7 102.3 1.0
O H:ILE308 2.8 105.5 1.0
CB H:SER310 3.2 101.2 1.0
CE H:LYS261 3.2 103.7 1.0
NZ H:LYS261 3.4 103.5 1.0
CB H:MET259 3.4 104.8 1.0
O H:MET259 3.5 103.0 1.0
CA H:MET259 3.5 103.4 1.0
N H:SER310 3.5 99.5 1.0
O H:THR257 3.5 95.6 1.0
C H:LEU258 3.5 99.8 1.0
CA H:LEU258 3.6 98.7 1.0
C H:PHE309 3.6 101.0 1.0
O H:PHE309 3.9 101.3 1.0
C H:ILE308 3.9 104.7 1.0
CA H:SER310 4.0 100.0 1.0
C H:MET259 4.0 104.1 1.0
CA H:PHE309 4.1 101.1 1.0
C H:THR257 4.2 95.7 1.0
N H:LEU258 4.3 97.4 1.0
N H:PHE309 4.4 103.0 1.0
CD H:LYS261 4.7 104.6 1.0
O H:LEU258 4.7 99.5 1.0
CG2 H:VAL267 4.8 101.3 1.0
CB H:LEU258 4.8 98.7 1.0
CG H:MET259 4.9 105.8 1.0
OD1 H:ASP304 4.9 106.8 1.0

Reference:

E.M.Huber, L.Kreling, A.K.Heinrich, M.Duennebacke, A.Poethig, H.B.Bode, M.Groll. A Set of Closely Related Methyltransferases For Site-Specific Tailoring of Anthraquinone Pigments Structure 2023.
ISSN: ISSN 0969-2126
Page generated: Tue Jul 30 07:15:21 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy