Atomistry » Bromine » PDB 5ev3-5i5p » 5g01
Atomistry »
  Bromine »
    PDB 5ev3-5i5p »
      5g01 »

Bromine in PDB 5g01: An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C

Enzymatic activity of An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C

All present enzymatic activity of An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C:
4.2.1.1;

Protein crystallography data

The structure of An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C, PDB code: 5g01 was solved by P.Mujumdar, C.T.Supuran, T.S.Peat, S.A.Poulsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.49 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.159, 41.494, 71.699, 90.00, 104.26, 90.00
R / Rfree (%) 12.8 / 16.5

Other elements in 5g01:

The structure of An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Sodium (Na) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C (pdb code 5g01). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C, PDB code: 5g01:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 5g01

Go back to Bromine Binding Sites List in 5g01
Bromine binding site 1 out of 2 in the An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1263

b:19.3
occ:0.75
BR A:OE21263 0.0 19.3 0.8
C14 A:OE21263 1.9 18.0 0.8
C13 A:OE21263 2.8 17.5 0.8
C16 A:OE21263 2.8 18.3 0.8
O17 A:OE21263 3.1 20.6 0.8
O A:HOH2172 3.4 38.2 1.0
CG A:PRO202 3.7 13.0 1.0
CD1 A:LEU198 3.8 13.5 1.0
CD A:PRO202 3.9 11.8 1.0
ND2 A:ASN204 4.0 14.7 1.0
OG A:SER135 4.0 14.4 1.0
C12 A:OE21263 4.1 17.8 0.8
CB A:SER135 4.1 13.6 1.0
C18 A:OE21263 4.1 15.5 0.8
C19 A:OE21263 4.6 18.7 0.8
CG A:ASN204 4.7 13.2 1.0
OD1 A:ASN204 5.0 15.7 1.0

Bromine binding site 2 out of 2 in 5g01

Go back to Bromine Binding Sites List in 5g01
Bromine binding site 2 out of 2 in the An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1264

b:24.6
occ:0.60
BR A:OE21264 0.0 24.6 0.6
C14 A:OE21264 1.9 23.3 0.8
C13 A:OE21264 2.8 21.4 0.8
C16 A:OE21264 2.9 26.0 0.8
O17 A:OE21264 3.1 26.5 0.8
C4 A:OE21263 3.7 21.1 0.8
CE A:LYS67 4.0 27.8 1.0
C18 A:OE21263 4.1 15.5 0.8
C12 A:OE21264 4.2 16.9 0.8
C18 A:OE21264 4.2 24.1 0.8
N3 A:OE21263 4.2 20.6 0.8
O1 A:OE21263 4.2 16.9 0.8
C19 A:OE21263 4.2 18.7 0.8
C2 A:OE21263 4.4 17.2 0.8
CD A:LYS67 4.4 22.1 1.0
NZ A:LYS67 4.5 31.9 1.0
C19 A:OE21264 4.7 20.4 0.8
NE2 A:GLN92 4.9 12.4 1.0
C16 A:OE21263 5.0 18.3 0.8
O9 A:OE21263 5.0 17.7 0.8
C5 A:OE21263 5.0 19.1 0.8

Reference:

P.Mujumdar, K.Teruya, K.F.Tonissen, D.Vullo, C.T.Supuran, T.S.Peat, S.Poulsen. An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem. V. 59 5462 2016.
ISSN: ISSN 0022-2623
PubMed: 27172398
DOI: 10.1021/ACS.JMEDCHEM.6B00443
Page generated: Sat Dec 12 02:26:18 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy