Atomistry » Chlorine » PDB 1hba-1i3k » 1hhf
Atomistry »
  Chlorine »
    PDB 1hba-1i3k »
      1hhf »

Chlorine in PDB 1hhf: Decaplanin Second P6122-Form

Protein crystallography data

The structure of Decaplanin Second P6122-Form, PDB code: 1hhf was solved by C.Lehmann, L.Vertessy, G.M.Sheldrick, Z.Dauter, M.Dauter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.39 / 1.47
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 60.101, 60.101, 131.387, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 21.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Decaplanin Second P6122-Form (pdb code 1hhf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Decaplanin Second P6122-Form, PDB code: 1hhf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1hhf

Go back to Chlorine Binding Sites List in 1hhf
Chlorine binding site 1 out of 8 in the Decaplanin Second P6122-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Decaplanin Second P6122-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2

b:36.0
occ:1.00
 CL A:OMZ2 0.0 36.0 1.0
CE1 A:OMZ2 1.7 20.3 1.0
CD1 A:OMZ2 2.7 19.8 1.0
CZ A:OMZ2 2.7 19.8 1.0
OH A:OMZ2 3.0 20.2 1.0
C5 A:GHP4 3.3 18.4 1.0
O4 A:RAM10 3.4 28.0 1.0
C6 A:GHP4 3.4 18.2 1.0
O A:HOH2031 3.6 37.2 1.0
CD1 C:OMX6 3.7 17.6 1.0
O4 C:PO41006 3.8 31.4 0.4
C2 C:ERE8 3.9 21.8 1.0
CE1 C:OMX6 3.9 17.8 1.0
C5 A:RAM10 3.9 21.3 1.0
C1 C:ERE8 3.9 20.7 1.0
CG A:OMZ2 3.9 20.3 1.0
C6 A:RAM10 3.9 22.4 1.0
CE2 A:OMZ2 4.0 19.9 1.0
C4 A:GHP4 4.2 17.5 1.0
C4 A:RAM10 4.2 24.0 1.0
C1 A:GHP4 4.3 17.5 1.0
CD2 A:OMZ2 4.5 20.2 1.0
O C:HOH2017 4.5 58.1 1.0
O A:ASN3 4.5 20.2 1.0
CG C:OMX6 4.6 18.2 1.0
OC C:OMX6 4.6 19.5 1.0
C A:ASN3 4.7 18.6 1.0
O4 A:GHP4 4.7 18.2 1.0
C3 A:RAM10 4.9 25.1 1.0
N A:GHP4 4.9 18.2 1.0
O A:HOH2003 4.9 40.6 1.0
C3 A:GHP4 5.0 16.8 1.0
O5 C:ERE8 5.0 23.1 1.0
C2 A:GHP4 5.0 17.4 1.0

Chlorine binding site 2 out of 8 in 1hhf

Go back to Chlorine Binding Sites List in 1hhf
Chlorine binding site 2 out of 8 in the Decaplanin Second P6122-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Decaplanin Second P6122-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2

b:37.7
occ:1.00
 CL B:OMZ2 0.0 37.7 1.0
CE1 B:OMZ2 1.7 20.9 1.0
CD1 B:OMZ2 2.6 21.6 1.0
CZ B:OMZ2 2.7 20.8 1.0
OH B:OMZ2 3.1 21.2 1.0
O4 B:RAM10 3.3 34.4 1.0
C5 B:GHP4 3.3 19.7 1.0
C6 B:GHP4 3.5 18.8 1.0
C6 B:RAM10 3.9 24.0 1.0
CG B:OMZ2 3.9 20.6 1.0
C5 B:RAM10 3.9 26.3 1.0
CE2 B:OMZ2 4.0 20.6 1.0
C4 B:GHP4 4.2 19.3 1.0
C4 B:RAM10 4.2 30.9 1.0
C1 B:GHP4 4.3 18.0 1.0
CD2 B:OMZ2 4.4 20.5 1.0
O B:ASN3 4.6 20.4 1.0
O4 B:GHP4 4.8 21.4 1.0
C B:ASN3 4.8 19.6 1.0
N B:GHP4 4.9 18.1 1.0
C3 B:GHP4 5.0 18.6 1.0
C2 B:GHP4 5.0 18.1 1.0

Chlorine binding site 3 out of 8 in 1hhf

Go back to Chlorine Binding Sites List in 1hhf
Chlorine binding site 3 out of 8 in the Decaplanin Second P6122-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Decaplanin Second P6122-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2

b:24.6
occ:1.00
 CL C:OMZ2 0.0 24.6 1.0
CE1 C:OMZ2 1.7 16.8 1.0
CZ C:OMZ2 2.6 16.5 1.0
CD1 C:OMZ2 2.7 15.9 1.0
OH C:OMZ2 2.9 17.5 1.0
C5 C:GHP4 3.4 16.6 1.0
CD1 A:OMX6 3.6 16.7 1.0
O6 C:BGC9 3.6 21.1 1.0
C6 C:GHP4 3.7 16.1 1.0
CE1 A:OMX6 3.8 17.8 1.0
C2 A:ERE8 3.9 17.6 1.0
CE2 C:OMZ2 3.9 16.0 1.0
C1 A:ERE8 3.9 18.3 1.0
CG C:OMZ2 4.0 15.5 1.0
O5 C:BGC9 4.0 17.1 1.0
C6 C:BGC9 4.2 20.0 1.0
C4 C:GHP4 4.3 16.1 1.0
CD2 C:OMZ2 4.4 15.5 1.0
CG A:OMX6 4.5 17.3 1.0
OC A:OMX6 4.6 18.1 1.0
C1 C:GHP4 4.7 16.2 1.0
C5 C:BGC9 4.7 17.7 1.0
O C:ASN3 4.8 18.4 1.0
O4 C:GHP4 4.8 16.4 1.0
CZ A:OMX6 4.9 17.0 1.0
O5 A:ERE8 5.0 20.5 1.0

Chlorine binding site 4 out of 8 in 1hhf

Go back to Chlorine Binding Sites List in 1hhf
Chlorine binding site 4 out of 8 in the Decaplanin Second P6122-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Decaplanin Second P6122-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2

b:34.6
occ:1.00
 CL D:OMZ2 0.0 34.6 1.0
CE1 D:OMZ2 1.7 19.1 1.0
CZ D:OMZ2 2.7 19.1 1.0
CD1 D:OMZ2 2.7 20.0 1.0
OH D:OMZ2 2.9 19.6 1.0
C5 D:GHP4 3.3 17.9 1.0
C6 D:GHP4 3.6 17.1 1.0
O D:HOH2003 3.6 26.1 1.0
O6 D:BGC9 3.8 24.5 1.0
O5 D:BGC9 3.9 19.9 1.0
CE2 D:OMZ2 3.9 18.1 1.0
CG D:OMZ2 4.0 18.4 1.0
C6 D:BGC9 4.1 22.0 1.0
C4 D:GHP4 4.3 16.8 1.0
CD2 D:OMZ2 4.4 18.7 1.0
C1 D:GHP4 4.6 16.9 1.0
C5 D:BGC9 4.7 20.4 1.0
O4 D:GHP4 4.8 18.9 1.0
O D:ASN3 4.8 20.3 1.0
C1 D:BGC9 5.0 19.1 1.0

Chlorine binding site 5 out of 8 in 1hhf

Go back to Chlorine Binding Sites List in 1hhf
Chlorine binding site 5 out of 8 in the Decaplanin Second P6122-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Decaplanin Second P6122-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:21.4
occ:1.00
 N A:MLU1 3.1 22.9 1.0
N A:ASN3 3.1 20.0 1.0
N B:MLU1 3.2 22.7 1.0
N A:OMZ2 3.3 20.5 1.0
N A:GHP4 3.3 18.2 1.0
O A:GHP4 3.6 18.9 1.0
CN A:MLU1 3.7 26.2 1.0
CA A:MLU1 3.8 21.0 1.0
CG B:MLU1 3.8 20.2 1.0
CB A:MLU1 3.8 21.8 1.0
CL A:CL1002 3.8 21.6 1.0
CA A:ASN3 3.8 20.1 1.0
C A:MLU1 3.9 21.1 1.0
CN B:MLU1 4.0 24.0 1.0
C A:ASN3 4.0 18.6 1.0
CB A:ASN3 4.0 23.5 1.0
C A:OMZ2 4.1 20.2 1.0
CD2 A:OMZ2 4.2 20.2 1.0
CA A:OMZ2 4.2 20.5 1.0
CB B:MLU1 4.2 20.9 1.0
CA B:MLU1 4.2 20.0 1.0
C6 A:GHP4 4.2 18.2 1.0
CA A:GHP4 4.3 17.4 1.0
C A:GHP4 4.3 17.6 1.0
CE2 A:OMZ2 4.4 19.9 1.0
CD1 B:MLU1 4.4 23.3 1.0
C1 A:GHP4 4.6 17.5 1.0
CG A:OMZ2 4.7 20.3 1.0
CD2 B:MLU1 4.7 22.0 1.0
CG A:MLU1 4.7 21.9 1.0
OD1 A:ASN3 4.7 26.9 1.0
CZ A:OMZ2 4.9 19.8 1.0
CG A:ASN3 4.9 25.6 1.0

Chlorine binding site 6 out of 8 in 1hhf

Go back to Chlorine Binding Sites List in 1hhf
Chlorine binding site 6 out of 8 in the Decaplanin Second P6122-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Decaplanin Second P6122-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:21.6
occ:1.00
 N B:MLU1 3.0 22.7 1.0
N B:ASN3 3.1 18.8 1.0
N A:MLU1 3.2 22.9 1.0
N B:GHP4 3.3 18.1 1.0
N B:OMZ2 3.3 19.0 1.0
O B:GHP4 3.6 19.9 1.0
CN B:MLU1 3.7 24.0 1.0
CA B:MLU1 3.7 20.0 1.0
CG A:MLU1 3.7 21.9 1.0
CA B:ASN3 3.8 19.9 1.0
CB B:MLU1 3.8 20.9 1.0
CB B:ASN3 3.8 21.8 1.0
CL A:CL1001 3.8 21.4 1.0
CN A:MLU1 3.9 26.2 1.0
C B:MLU1 4.0 20.9 1.0
C B:ASN3 4.0 19.6 1.0
C B:OMZ2 4.1 19.1 1.0
CB A:MLU1 4.2 21.8 1.0
CA B:GHP4 4.2 17.7 1.0
CA B:OMZ2 4.2 19.8 1.0
CA A:MLU1 4.2 21.0 1.0
C6 B:GHP4 4.2 18.8 1.0
CD2 B:OMZ2 4.3 20.5 1.0
C B:GHP4 4.3 17.9 1.0
CE2 B:OMZ2 4.4 20.6 1.0
CG B:ASN3 4.4 24.4 1.0
CD1 A:MLU1 4.4 26.6 1.0
C1 B:GHP4 4.6 18.0 1.0
CG B:MLU1 4.7 20.2 1.0
CD2 A:MLU1 4.7 22.6 1.0
ND2 B:ASN3 4.7 31.1 1.0
CG B:OMZ2 4.7 20.6 1.0
CZ B:OMZ2 4.9 20.8 1.0
OD1 B:ASN3 5.0 25.4 1.0

Chlorine binding site 7 out of 8 in 1hhf

Go back to Chlorine Binding Sites List in 1hhf
Chlorine binding site 7 out of 8 in the Decaplanin Second P6122-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Decaplanin Second P6122-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1003

b:19.4
occ:1.00
 N C:MLU1 3.1 19.6 1.0
N C:ASN3 3.1 16.5 1.0
N D:MLU1 3.1 20.2 1.0
N C:GHP4 3.2 16.2 1.0
N C:OMZ2 3.3 16.8 1.0
O C:GHP4 3.6 17.5 1.0
CB C:MLU1 3.7 20.1 1.0
CA C:MLU1 3.7 18.4 1.0
CN C:MLU1 3.8 20.5 1.0
CA C:ASN3 3.8 16.9 1.0
CG D:MLU1 3.8 19.7 1.0
CL C:CL1004 3.8 18.9 1.0
CN D:MLU1 3.9 20.6 1.0
CB C:ASN3 3.9 19.3 1.0
C C:ASN3 4.0 16.1 1.0
C C:MLU1 4.0 17.8 1.0
C C:OMZ2 4.1 17.1 1.0
CD2 C:OMZ2 4.2 15.5 1.0
CA C:GHP4 4.2 16.4 1.0
CA D:MLU1 4.2 18.7 1.0
C C:GHP4 4.3 16.9 1.0
CA C:OMZ2 4.3 16.6 1.0
CB D:MLU1 4.3 18.8 1.0
C6 C:GHP4 4.3 16.1 1.0
CE2 C:OMZ2 4.3 16.0 1.0
CD1 D:MLU1 4.5 20.3 1.0
C1 C:GHP4 4.5 16.2 1.0
OD1 C:ASN3 4.7 23.7 1.0
CD2 D:MLU1 4.7 20.5 1.0
CG C:OMZ2 4.7 15.5 1.0
CG C:ASN3 4.8 20.7 1.0

Chlorine binding site 8 out of 8 in 1hhf

Go back to Chlorine Binding Sites List in 1hhf
Chlorine binding site 8 out of 8 in the Decaplanin Second P6122-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Decaplanin Second P6122-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1004

b:18.9
occ:1.00
 N D:MLU1 3.1 20.2 1.0
N D:ASN3 3.1 18.7 1.0
N C:MLU1 3.2 19.6 1.0
N D:GHP4 3.2 17.3 1.0
N D:OMZ2 3.3 18.1 1.0
O D:GHP4 3.7 16.9 1.0
CB D:MLU1 3.7 18.8 1.0
CA D:MLU1 3.8 18.7 1.0
CN D:MLU1 3.8 20.6 1.0
CA D:ASN3 3.8 19.5 1.0
CB D:ASN3 3.8 22.6 1.0
CL C:CL1003 3.8 19.4 1.0
CB C:MLU1 3.9 20.1 1.0
C D:MLU1 4.0 18.8 1.0
C D:ASN3 4.0 18.1 1.0
C D:OMZ2 4.1 18.1 1.0
CN C:MLU1 4.1 20.5 1.0
CA C:MLU1 4.1 18.4 1.0
CA D:GHP4 4.2 17.0 1.0
CA D:OMZ2 4.2 18.2 1.0
CD2 D:OMZ2 4.2 18.7 1.0
C6 D:GHP4 4.2 17.1 1.0
C D:GHP4 4.3 16.6 1.0
CE2 D:OMZ2 4.4 18.1 1.0
C1 D:GHP4 4.5 16.9 1.0
CG D:MLU1 4.5 19.7 1.0
CG D:ASN3 4.6 26.2 1.0
CG D:OMZ2 4.7 18.4 1.0
OD1 D:ASN3 4.9 36.2 1.0
CZ D:OMZ2 4.9 19.1 1.0
CD1 D:MLU1 5.0 20.3 1.0

Reference:

C.Lehmann, J.E.Debreczeni, G.Bunkoczi, M.Dauter, Z.Dauter, L.Vertesy, G.M.Sheldrick. Structures of Four Crystal Forms of Decaplanin Helv.Chim.Acta V. 86 1478 2003.
ISSN: ISSN 0018-019X
DOI: 10.1002/HLCA.200390131
Page generated: Fri Jul 19 22:29:22 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy