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Zinc in PDB 6d1m: Design, Synthesis, and X-Ray of Selenides Bearing Benzenesulfonamide Moiety with Neuropathic Pain Modulating Effects

Enzymatic activity of Design, Synthesis, and X-Ray of Selenides Bearing Benzenesulfonamide Moiety with Neuropathic Pain Modulating Effects

All present enzymatic activity of Design, Synthesis, and X-Ray of Selenides Bearing Benzenesulfonamide Moiety with Neuropathic Pain Modulating Effects:
4.2.1.1;

Protein crystallography data

The structure of Design, Synthesis, and X-Ray of Selenides Bearing Benzenesulfonamide Moiety with Neuropathic Pain Modulating Effects, PDB code: 6d1m was solved by T.S.Peat, A.Angeli, L.Di Cesare Mannelli, L.Micheli, C.Ghelardini, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.60 / 1.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.378, 41.599, 72.196, 90.00, 104.21, 90.00
R / Rfree (%) 13.2 / 15.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Design, Synthesis, and X-Ray of Selenides Bearing Benzenesulfonamide Moiety with Neuropathic Pain Modulating Effects (pdb code 6d1m). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Design, Synthesis, and X-Ray of Selenides Bearing Benzenesulfonamide Moiety with Neuropathic Pain Modulating Effects, PDB code: 6d1m:

Zinc binding site 1 out of 1 in 6d1m

Go back to Zinc Binding Sites List in 6d1m
Zinc binding site 1 out of 1 in the Design, Synthesis, and X-Ray of Selenides Bearing Benzenesulfonamide Moiety with Neuropathic Pain Modulating Effects


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Design, Synthesis, and X-Ray of Selenides Bearing Benzenesulfonamide Moiety with Neuropathic Pain Modulating Effects within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:4.5
occ:1.00
 N16 A:FQY302 1.9 5.4 1.0
NE2 A:HIS96 2.0 4.8 1.0
NE2 A:HIS94 2.1 4.7 1.0
ND1 A:HIS119 2.1 4.0 1.0
CE1 A:HIS119 2.9 4.6 1.0
CD2 A:HIS94 3.0 5.3 1.0
CD2 A:HIS96 3.0 4.9 1.0
CE1 A:HIS96 3.1 5.3 1.0
S2 A:FQY302 3.1 5.4 1.0
O17 A:FQY302 3.1 5.9 1.0
CE1 A:HIS94 3.1 4.4 1.0
CG A:HIS119 3.2 4.1 1.0
CB A:HIS119 3.6 4.2 1.0
OG1 A:THR199 3.9 4.6 1.0
OE1 A:GLU106 4.0 4.8 1.0
NE2 A:HIS119 4.1 4.6 1.0
C3 A:FQY302 4.1 5.6 1.0
O1 A:FQY302 4.1 5.9 1.0
ND1 A:HIS96 4.2 5.5 1.0
CG A:HIS94 4.2 4.8 1.0
ND1 A:HIS94 4.2 4.4 1.0
CG A:HIS96 4.2 4.7 1.0
CD2 A:HIS119 4.2 4.4 1.0
C1 A:GOL304 4.6 8.6 1.0
C4 A:FQY302 4.7 8.0 1.0
C6 A:FQY302 4.9 6.5 1.0
CD A:GLU106 4.9 4.8 1.0

Reference:

A.Angeli, L.Di Cesare Mannelli, E.Lucarini, T.S.Peat, C.Ghelardini, C.T.Supuran. Design, Synthesis and X-Ray Crystallography of Selenides Bearing Benzenesulfonamide Moiety with Neuropathic Pain Modulating Effects. Eur J Med Chem V. 154 210 2018.
ISSN: ISSN 1768-3254
PubMed: 29803994
DOI: 10.1016/J.EJMECH.2018.05.026
Page generated: Mon Oct 28 19:21:10 2024

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