Chlorine in PDB 1uou: Crystal Structure of Human Thymidine Phosphorylase in Complex with A Small Molecule Inhibitor

Enzymatic activity of Crystal Structure of Human Thymidine Phosphorylase in Complex with A Small Molecule Inhibitor

All present enzymatic activity of Crystal Structure of Human Thymidine Phosphorylase in Complex with A Small Molecule Inhibitor:
2.4.2.4;

Protein crystallography data

The structure of Crystal Structure of Human Thymidine Phosphorylase in Complex with A Small Molecule Inhibitor, PDB code: 1uou was solved by R.A.Norman, S.T.Barry, M.Bate, J.Breed, J.G.Colls, R.J.Ernill, R.W.A.Luke, C.A.Minshull, M.S.B.Mcalister, E.J.Mccall, H.H.J.Mcmiken, D.S.Paterson, D.Timms, J.A.Tucker, R.A.Pauptit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	91.29 / 2.11
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	69.990, 66.090, 96.870, 90.00, 106.54, 90.00
*R / R_free (%)*	18.8 / 25.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Thymidine Phosphorylase in Complex with A Small Molecule Inhibitor (pdb code 1uou). 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 Crystal Structure of Human Thymidine Phosphorylase in Complex with A Small Molecule Inhibitor, PDB code: 1uou:

Chlorine binding site 1 out of 1 in 1uou

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Chlorine Binding Sites List in 1uou

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Thymidine Phosphorylase in Complex with A Small Molecule Inhibitor

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Thymidine Phosphorylase in Complex with A Small Molecule Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1481 b:23.2 occ:1.00	CL1	A:CMU1481	0.0	23.2	1.0
	C2	A:CMU1481	1.7	20.8	1.0
	C3	A:CMU1481	2.7	20.5	1.0
	C15	A:CMU1481	2.7	20.0	1.0
	O16	A:CMU1481	2.9	21.4	1.0
	C4	A:CMU1481	3.1	18.2	1.0
	CD2	A:LEU148	3.7	22.2	1.0
	CG1	A:ILE214	3.8	18.2	1.0
	CG2	A:ILE214	3.9	18.1	1.0
	N11	A:CMU1481	3.9	20.1	1.0
	N14	A:CMU1481	4.0	17.3	1.0
	CD1	A:ILE214	4.0	19.4	1.0
	N5	A:CMU1481	4.1	20.4	1.0
	O	A:THR118	4.1	22.9	1.0
	C6	A:CMU1481	4.2	19.4	1.0
	CB	A:ILE214	4.4	18.4	1.0
	CG2	A:VAL241	4.4	40.9	1.0
	C12	A:CMU1481	4.5	19.7	1.0
	NH1	A:ARG202	4.5	25.9	1.0
	CG1	A:VAL208	4.5	21.0	1.0
	C	A:THR118	4.8	21.9	1.0
	CA	A:THR118	4.8	21.1	1.0
	CA	A:ILE214	4.9	18.5	1.0
	CG	A:LEU148	5.0	20.9	1.0

Reference:

R.A.Norman, S.T.Barry, M.Bate, J.Breed, J.G.Colls, R.J.Ernill, R.W.A.Luke, C.A.Minshull, M.S.B.Mcalister, E.J.Mccall, H.H.J.Mcmicken, D.S.Paterson, D.Timms, J.A.Tucker, R.A.Pauptit. Crystal Structure of Human Thymidine Phosphorylase in Complex with A Small Molecule Inhibitor Structure V. 12 75 2004.
ISSN: ISSN 0969-2126
PubMed: 14725767
DOI: 10.1016/J.STR.2003.11.018

Page generated: Sat Jul 20 02:46:48 2024

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