Atomistry » Chlorine » PDB 7cvs-7dae » 7d79
Atomistry »
  Chlorine »
    PDB 7cvs-7dae »
      7d79 »

Chlorine in PDB 7d79: The Structure of Dcsb Complex with Its Substrate Analogue

Protein crystallography data

The structure of The Structure of Dcsb Complex with Its Substrate Analogue, PDB code: 7d79 was solved by Y.Tang, J.H.Zhou, G.Q.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.00 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 47.263, 59.011, 113.99, 84.85, 78.55, 84.01
R / Rfree (%) 18.2 / 22.7

Other elements in 7d79:

The structure of The Structure of Dcsb Complex with Its Substrate Analogue also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Dcsb Complex with Its Substrate Analogue (pdb code 7d79). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Structure of Dcsb Complex with Its Substrate Analogue, PDB code: 7d79:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7d79

Go back to Chlorine Binding Sites List in 7d79
Chlorine binding site 1 out of 4 in the The Structure of Dcsb Complex with Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Dcsb Complex with Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:46.6
occ:1.00
NH1 D:ARG211 3.0 23.1 1.0
O D:HOH593 3.0 25.9 1.0
OD1 D:ASN209 3.0 22.5 1.0
CD D:ARG211 3.4 20.2 1.0
CG D:ARG211 3.7 25.7 1.0
O D:ASN209 3.7 22.7 1.0
CA D:ASN209 3.8 29.2 1.0
CG D:ASN209 3.9 36.3 1.0
CZ D:ARG211 4.0 26.4 1.0
C D:ASN209 4.1 24.7 1.0
CB D:ASN209 4.1 28.7 1.0
NE D:ARG211 4.2 23.1 1.0
O D:PRO208 4.7 33.8 1.0

Chlorine binding site 2 out of 4 in 7d79

Go back to Chlorine Binding Sites List in 7d79
Chlorine binding site 2 out of 4 in the The Structure of Dcsb Complex with Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Dcsb Complex with Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:33.5
occ:1.00
N A:SER105 3.1 24.9 1.0
OG A:SER105 3.1 29.2 1.0
NZ A:LYS30 3.5 27.7 1.0
O A:VAL103 3.5 25.2 1.0
CB A:SER105 3.6 26.8 1.0
CA A:ASP104 3.9 27.6 1.0
CA A:SER105 4.0 20.5 1.0
C A:ASP104 4.0 24.9 1.0
CE A:LYS30 4.0 29.5 1.0
OD1 A:ASP104 4.2 26.4 1.0
CD A:LYS30 4.3 24.7 1.0
C A:VAL103 4.5 26.4 1.0
N A:ASP104 4.7 27.0 1.0
CG A:ASP104 4.8 25.2 1.0
CB A:ASP104 4.9 25.4 1.0
O A:SER98 4.9 20.4 1.0
C A:SER105 4.9 18.0 1.0
N A:SER106 4.9 16.3 1.0

Chlorine binding site 3 out of 4 in 7d79

Go back to Chlorine Binding Sites List in 7d79
Chlorine binding site 3 out of 4 in the The Structure of Dcsb Complex with Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Dcsb Complex with Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:52.9
occ:1.00
O2 A:EDO404 2.8 45.9 1.0
C2 A:EDO404 3.3 42.9 1.0
O1 A:EDO404 3.7 45.7 1.0
C1 A:EDO404 4.1 29.9 1.0
O A:GLY302 4.7 46.0 0.9

Chlorine binding site 4 out of 4 in 7d79

Go back to Chlorine Binding Sites List in 7d79
Chlorine binding site 4 out of 4 in the The Structure of Dcsb Complex with Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Dcsb Complex with Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:42.0
occ:1.00
O C:HOH577 2.8 27.5 1.0
O C:HOH513 3.0 30.6 1.0
N C:ASN41 3.0 25.3 1.0
NE2 C:GLN86 3.1 24.3 1.0
O C:GLY39 3.3 27.1 1.0
CD1 C:ILE70 3.4 33.2 1.0
CG2 C:ILE81 3.6 33.5 1.0
CD1 C:ILE81 3.6 25.7 1.0
CA C:ASN41 3.8 26.2 1.0
CA C:PHE40 3.9 27.8 1.0
C C:PHE40 3.9 26.8 1.0
CD C:GLN86 4.0 28.0 1.0
OE1 C:GLN86 4.0 27.8 1.0
C C:GLY39 4.2 30.3 1.0
CG C:PRO67 4.3 22.5 1.0
CD2 C:PHE115 4.3 28.4 1.0
N C:PHE40 4.4 28.4 1.0
CG1 C:ILE81 4.5 37.7 1.0
CB C:ILE81 4.6 36.7 1.0
CB C:PRO67 4.6 20.7 1.0
N C:CYS42 4.6 28.5 1.0
CE2 C:PHE115 4.7 25.8 1.0
C C:ASN41 4.7 21.6 1.0
CG1 C:ILE70 4.9 27.5 1.0
O C:PRO38 4.9 21.4 1.0

Reference:

D.W.Gao, C.S.Jamieson, G.Wang, Y.Yan, J.Zhou, K.N.Houk, Y.Tang. A Polyketide Cyclase That Forms Medium-Ring Lactones. J.Am.Chem.Soc. V. 143 80 2021.
ISSN: ESSN 1520-5126
PubMed: 33351624
DOI: 10.1021/JACS.0C11226
Page generated: Mon Jul 29 20:00:14 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy