Bromine in PDB 1c4u: Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties.

Enzymatic activity of Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties.

All present enzymatic activity of Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties.:
3.4.21.5;

Protein crystallography data

The structure of Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties., PDB code: 1c4u was solved by R.Krishnan, I.Mochalkin, R.K.Arni, A.Tulinsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	7.00 / 2.10
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	71.510, 72.020, 72.910, 90.00, 100.80, 90.00
*R / R_free (%)*	n/a / n/a

Other elements in 1c4u:

The structure of Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties. also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties. (pdb code 1c4u). 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 Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties., PDB code: 1c4u:

Bromine binding site 1 out of 1 in 1c4u

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Bromine Binding Sites List in 1c4u

Bromine binding site 1 out of 1 in the Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties.

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
2:Br370 b:50.0 occ:1.00	BR	2:IH1370	0.0	50.0	1.0
	C27	2:IH1370	1.8	50.0	1.0
	C28	2:IH1370	2.6	48.7	1.0
	C26	2:IH1370	2.7	48.9	1.0
	O	2:GLU97A	3.2	21.3	1.0
	O	2:HOH406	3.4	33.7	1.0
	O	2:HOH433	3.6	21.9	0.7
	C	2:GLU97A	3.6	22.3	1.0
	N	2:LEU99	3.8	19.8	1.0
	OH	2:TYR60A	3.8	28.0	1.0
	C29	2:IH1370	3.9	45.5	1.0
	CA	2:ASN98	3.9	19.9	1.0
	CD1	2:LEU99	3.9	22.6	1.0
	N	2:ASN98	3.9	21.2	1.0
	C25	2:IH1370	4.0	45.7	1.0
	C	2:ASN98	4.0	18.7	1.0
	O	2:TRP96	4.1	24.4	1.0
	C24	2:IH1370	4.4	43.6	1.0
	CB	2:LEU99	4.4	20.7	1.0
	CD2	2:LEU99	4.5	23.6	1.0
	CG	2:LEU99	4.5	21.7	1.0
	CA	2:GLU97A	4.5	24.3	1.0
	CA	2:LEU99	4.6	21.8	1.0
	N	2:GLU97A	4.7	25.0	1.0
	CE1	2:TYR60A	4.8	29.3	1.0
	O	2:ASN98	4.8	16.0	1.0
	CZ	2:TYR60A	4.8	28.7	1.0
	C	2:TRP96	4.9	24.0	1.0
	C16	2:IH1370	4.9	30.4	1.0

Reference:

R.Krishnan, I.Mochalkin, R.Arni, A.Tulinsky. Structure of Thrombin Complexed with Selective Non-Electrophilic Inhibitors Having Cyclohexyl Moieties at P1. Acta Crystallogr.,Sect.D V. 56 294 2000.
ISSN: ISSN 0907-4449
PubMed: 10713516
DOI: 10.1107/S0907444900000068

Page generated: Wed Jul 10 16:19:51 2024

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