Bromine in PDB 4k60: Crystal Structure of Human Chymase in Complex with Fragment 6-Bromo-1, 3-Dihydro-2H-Indol-2-One

Enzymatic activity of Crystal Structure of Human Chymase in Complex with Fragment 6-Bromo-1, 3-Dihydro-2H-Indol-2-One

All present enzymatic activity of Crystal Structure of Human Chymase in Complex with Fragment 6-Bromo-1, 3-Dihydro-2H-Indol-2-One:
3.4.21.39;

Protein crystallography data

The structure of Crystal Structure of Human Chymase in Complex with Fragment 6-Bromo-1, 3-Dihydro-2H-Indol-2-One, PDB code: 4k60 was solved by B.K.Collins, A.K.Padyana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	33.37 / 1.50
*Space group*	P 4₃
*Cell size a, b, c (Å), α, β, γ (°)*	74.615, 74.615, 49.738, 90.00, 90.00, 90.00
*R / R_free (%)*	18 / 20.1

Other elements in 4k60:

The structure of Crystal Structure of Human Chymase in Complex with Fragment 6-Bromo-1, 3-Dihydro-2H-Indol-2-One also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human Chymase in Complex with Fragment 6-Bromo-1, 3-Dihydro-2H-Indol-2-One (pdb code 4k60). 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 Crystal Structure of Human Chymase in Complex with Fragment 6-Bromo-1, 3-Dihydro-2H-Indol-2-One, PDB code: 4k60:

Bromine binding site 1 out of 1 in 4k60

Go back to

Bromine Binding Sites List in 4k60

Bromine binding site 1 out of 1 in the Crystal Structure of Human Chymase in Complex with Fragment 6-Bromo-1, 3-Dihydro-2H-Indol-2-One

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human Chymase in Complex with Fragment 6-Bromo-1, 3-Dihydro-2H-Indol-2-One within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br703 b:33.0 occ:1.00	BR1	A:1P8703	0.0	33.0	1.0
	C2	A:1P8703	1.9	18.1	1.0
	C3	A:1P8703	2.8	19.2	1.0
	C11	A:1P8703	2.9	17.9	1.0
	O	A:HOH1037	3.6	19.6	1.0
	CE1	A:PHE191	3.8	17.5	1.0
	CA	A:SER218	3.8	15.7	1.0
	CE	A:LYS192	3.9	24.8	1.0
	O	A:ARG217	4.0	12.6	1.0
	CZ	A:PHE191	4.1	18.9	1.0
	C4	A:1P8703	4.1	18.4	1.0
	CG	A:LYS192	4.1	18.4	1.0
	C10	A:1P8703	4.2	15.8	1.0
	O	A:GLY216	4.3	14.3	1.0
	N	A:SER218	4.3	14.1	1.0
	O	A:HOH1085	4.3	41.5	1.0
	C	A:ARG217	4.3	12.1	1.0
	CB	A:SER218	4.5	18.3	1.0
	CD1	A:PHE191	4.5	14.0	1.0
	C5	A:1P8703	4.6	16.3	1.0
	CD	A:LYS192	4.7	23.7	1.0
	C	A:SER218	4.8	17.2	1.0
	O	A:SER218	4.8	19.6	1.0
	C	A:GLY216	5.0	11.9	1.0

Reference:

S.J.Taylor, A.K.Padyana, A.Abeywardane, S.Liang, M.H.Hao, S.De Lombaert, J.Proudfoot, B.S.Farmer, X.Li, B.Collins, L.Martin, D.R.Albaugh, M.Hill-Drzewi, S.S.Pullen, H.Takahashi. Discovery of Potent, Selective Chymase Inhibitors Via Fragment Linking Strategies. J.Med.Chem. V. 56 4465 2013.
ISSN: ISSN 0022-2623
PubMed: 23659209
DOI: 10.1021/JM400138Z

Page generated: Wed Jul 10 21:44:23 2024

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