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Cadmium in PDB 7any: Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate

Protein crystallography data

The structure of Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate, PDB code: 7any was solved by M.R.Zeronian, N.M.Pearce, M.Lutz, T.M.Wood, N.I.Martin, B.J.C.Janssen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.76 / 1.14
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 40.132, 68.321, 40.132, 90, 120, 90
R / Rfree (%) 16 / 19.2

Other elements in 7any:

The structure of Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate also contains other interesting chemical elements:

Chlorine (Cl) 14 atoms
Calcium (Ca) 42 atoms
Sodium (Na) 1 atom

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate (pdb code 7any). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate, PDB code: 7any:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in 7any

Go back to Cadmium Binding Sites List in 7any
Cadmium binding site 1 out of 3 in the Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cd105

b:20.7
occ:0.45
CA C:CA104 0.1 4.8 0.6
O K:HOH204 2.3 19.8 1.0
OD2 C:ASP7 2.4 11.9 1.0
O K:HOH216 2.4 8.5 1.0
O D:HOH201 2.4 14.3 1.0
CL C:CL108 3.1 13.3 1.0
CG C:ASP7 3.3 9.6 1.0
CB C:ASP7 3.6 8.2 1.0
NG D:2RA9 3.8 10.1 1.0
O C:HOH214 4.0 18.3 1.0
O K:ASP5 4.1 10.3 1.0
O F:HOH206 4.1 27.9 1.0
CB D:2RA9 4.2 8.5 1.0
OD1 C:ASP7 4.3 7.9 1.0
O D:HOH210 4.5 25.4 1.0
OD2 K:ASP5 4.5 10.6 1.0
CA K:2RA9 4.5 7.6 1.0
O K:ASP7 4.7 8.8 1.0
O K:HOH214 4.7 19.3 1.0
N K:2RA9 4.7 7.1 1.0
N D:2RA9 4.8 8.3 1.0
O C:HOH206 4.9 26.8 1.0
CG K:ASP5 4.9 9.9 1.0
CB K:2RA9 4.9 7.4 1.0

Cadmium binding site 2 out of 3 in 7any

Go back to Cadmium Binding Sites List in 7any
Cadmium binding site 2 out of 3 in the Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cd103

b:8.0
occ:0.23
CA D:CA102 0.0 8.1 0.8
OD1 D:ASP7 2.2 8.4 1.0
O C:HOH203 2.3 9.2 1.0
O2 D:RDZ104 2.3 6.7 1.0
OD1 D:ASN1 2.4 9.2 1.0
O D:9GE0 2.4 9.9 1.0
C D:9GE0 3.3 12.3 1.0
CG D:ASP7 3.4 10.0 1.0
CG D:ASN1 3.6 11.7 1.0
P1 D:RDZ104 3.7 7.3 1.0
CA D:ASN1 3.9 10.1 1.0
O C:2RA9 3.9 6.6 1.0
CA D:ASP7 4.0 7.7 1.0
N D:ASN1 4.0 9.7 1.0
CB D:ASP7 4.1 8.9 1.0
C8 D:RDZ104 4.2 11.2 1.0
O1 D:RDZ104 4.2 8.0 1.0
NG C:2RA9 4.3 10.0 1.0
CB D:ASN1 4.3 9.8 1.0
N D:GLY8 4.4 7.9 1.0
CA D:9GE0 4.4 12.5 1.0
OD2 D:ASP7 4.4 11.7 1.0
O2 C:RDZ103 4.5 7.2 1.0
O3 D:RDZ104 4.5 6.3 1.0
ND2 D:ASN1 4.6 13.2 1.0
C04 D:9GE0 4.6 14.0 1.0
N C:2RA9 4.7 7.2 1.0
O4 D:RDZ104 4.7 7.4 1.0
CA C:GLY8 4.7 7.0 1.0
C D:ASP7 4.8 8.0 1.0
C C:GLY8 4.9 6.8 1.0
CG C:PRO11 4.9 11.2 1.0
C C:2RA9 5.0 8.1 1.0

Cadmium binding site 3 out of 3 in 7any

Go back to Cadmium Binding Sites List in 7any
Cadmium binding site 3 out of 3 in the Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Structure of the Laspartomycin C Friulimicin-Like Mutant in Complex with Geranyl Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cd105

b:26.5
occ:0.27
CA J:CA104 0.2 6.3 0.7
O B:HOH215 2.4 13.4 1.0
O B:HOH202 2.4 18.9 1.0
O I:HOH203 2.5 19.1 1.0
OD2 J:ASP7 2.5 12.2 1.0
O J:HOH205 2.6 25.4 1.0
CL J:CL109 2.9 10.2 1.0
CG J:ASP7 3.3 9.5 1.0
CB J:ASP7 3.6 8.9 1.0
O J:HOH214 3.8 18.4 1.0
NG I:2RA9 4.0 12.2 1.0
O B:ASP5 4.1 11.7 1.0
CB I:2RA9 4.2 10.4 1.0
CA B:2RA9 4.3 8.0 1.0
OD2 B:ASP5 4.3 8.6 1.0
OD1 J:ASP7 4.4 9.4 1.0
CB B:2RA9 4.6 8.0 1.0
O B:ASP7 4.6 9.9 1.0
N B:2RA9 4.7 7.4 1.0
O B:HOH214 4.7 29.2 1.0
CG B:ASP5 4.8 7.9 1.0
O H:HOH201 4.9 40.4 1.0
O B:HOH205 4.9 17.0 1.0
O J:HOH210 4.9 16.9 1.0
N I:2RA9 4.9 8.0 1.0

Reference:

T.M.Wood, M.R.Zeronian, N.Buijs, K.Bertheussen, H.K.Abedian, A.V.Johnson, N.M.Pearce, M.Lutz, J.Kemmink, T.Seirsma, L.W.Hamoen, B.J.C.Janssen, N.I.Martin. Mechanistic Insights Into the C55-P Targeting Lipopeptide Antibiotics Revealed By Structure-Activity Studies and High-Resolution Crystal Structures Chem Sci V. 13 2985 2022.
ISSN: ESSN 2041-6539
DOI: 10.1039/D1SC07190D
Page generated: Fri Jul 19 19:50:27 2024

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