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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

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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

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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

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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

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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

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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

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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

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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

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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

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