Chlorine in PDB 4jk6: Human Urokinase-Type Plasminogen Activator (Upa) in Complex with A Bicyclic Peptide Inhibitor (UK18-D-Aba)

Enzymatic activity of Human Urokinase-Type Plasminogen Activator (Upa) in Complex with A Bicyclic Peptide Inhibitor (UK18-D-Aba)

All present enzymatic activity of Human Urokinase-Type Plasminogen Activator (Upa) in Complex with A Bicyclic Peptide Inhibitor (UK18-D-Aba):
3.4.21.73;

Protein crystallography data

The structure of Human Urokinase-Type Plasminogen Activator (Upa) in Complex with A Bicyclic Peptide Inhibitor (UK18-D-Aba), PDB code: 4jk6 was solved by S.A.Buth, P.G.Leiman, S.Chen, C.Heinis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	33.16 / 2.20
*Space group*	H 3
*Cell size a, b, c (Å), α, β, γ (°)*	121.219, 121.219, 42.731, 90.00, 90.00, 120.00
*R / R_free (%)*	15.3 / 20.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Urokinase-Type Plasminogen Activator (Upa) in Complex with A Bicyclic Peptide Inhibitor (UK18-D-Aba) (pdb code 4jk6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Urokinase-Type Plasminogen Activator (Upa) in Complex with A Bicyclic Peptide Inhibitor (UK18-D-Aba), PDB code: 4jk6:

Chlorine binding site 1 out of 1 in 4jk6

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Chlorine Binding Sites List in 4jk6

Chlorine binding site 1 out of 1 in the Human Urokinase-Type Plasminogen Activator (Upa) in Complex with A Bicyclic Peptide Inhibitor (UK18-D-Aba)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Urokinase-Type Plasminogen Activator (Upa) in Complex with A Bicyclic Peptide Inhibitor (UK18-D-Aba) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl305 b:68.7 occ:1.00	N	A:LYS92	2.9	46.3	1.0
	NE1	A:TRP237	3.2	36.8	1.0
	CG	A:LYS92	3.4	54.6	1.0
	CB	A:LYS92	3.4	53.5	1.0
	O	A:LEU90	3.5	38.1	1.0
	CA	A:HIS91	3.7	38.9	1.0
	C	A:HIS91	3.8	42.2	1.0
	CA	A:LYS92	3.8	49.0	1.0
	CE2	A:TRP237	4.0	34.5	1.0
	NE2	A:HIS241	4.0	64.8	1.0
	CD	A:LYS92	4.1	59.6	1.0
	CE1	A:HIS241	4.2	62.1	1.0
	CZ2	A:TRP237	4.2	33.0	1.0
	CD1	A:TRP237	4.2	38.0	1.0
	ND1	A:HIS91	4.3	43.2	1.0
	CG	A:HIS91	4.3	40.0	1.0
	C	A:LEU90	4.4	35.4	1.0
	N	A:HIS91	4.5	35.8	1.0
	CE1	A:HIS91	4.6	44.7	1.0
	CB	A:HIS91	4.6	37.7	1.0
	CD2	A:HIS91	4.6	40.1	1.0
	NE2	A:HIS91	4.8	42.9	1.0
	O	A:HOH406	4.8	50.9	1.0
	C	A:LYS92	4.9	49.4	1.0
	N	A:ASP93	4.9	49.5	1.0
	O	A:HIS91	5.0	42.6	1.0

Reference:

S.Chen, D.Gfeller, S.A.Buth, O.Michielin, P.G.Leiman, C.Heinis. Improving Binding Affinity and Stability of Peptide Ligands By Substituting Glycines with D-Amino Acids. Chembiochem V. 14 1316 2013.
ISSN: ISSN 1439-4227
PubMed: 23828687
DOI: 10.1002/CBIC.201300228

Page generated: Sun Jul 21 17:29:43 2024

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