Bromine in PDB 5g03: 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: 5g03 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)*	69.62 / 1.35
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	41.880, 41.280, 71.788, 90.00, 104.11, 90.00
*R / R_free (%)*	12.8 / 16

Other elements in 5g03:

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

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 5g03). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structure of Psammaplin C, PDB code: 5g03:

Bromine binding site 1 out of 1 in 5g03

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Bromine Binding Sites List in 5g03

Bromine binding site 1 out of 1 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:44.6 occ:0.80	BR	A:OE21263	0.0	44.6	0.8
	C14	A:OE21263	1.9	38.7	0.8
	C16	A:OE21263	2.9	41.1	0.8
	C13	A:OE21263	2.9	35.3	0.8
	O17	A:OE21263	3.0	42.1	0.8
	CD2	A:LEU135	4.0	21.4	0.3
	CG2	A:VAL131	4.1	12.4	1.0
	CG1	A:VAL121	4.1	8.7	1.0
	C18	A:OE21263	4.2	39.8	0.8
	C12	A:OE21263	4.2	40.0	0.8
	CD1	A:LEU141	4.4	18.2	1.0
	CD2	A:LEU198	4.4	14.0	1.0
	CG	A:LEU135	4.4	18.2	0.3
	CD2	A:LEU141	4.5	16.3	1.0
	CD1	A:LEU135	4.6	18.6	0.3
	CD1	A:LEU135	4.6	19.8	0.7
	C19	A:OE21263	4.7	37.8	0.8
	CD1	A:LEU198	4.9	14.8	1.0
	CD2	A:LEU91	5.0	19.3	1.0

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: Wed Jul 10 23:42:57 2024

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