Fluorine in PDB 3ssj: Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump

Enzymatic activity of Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump

All present enzymatic activity of Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump:
4.1.1.23;

Protein crystallography data

The structure of Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, PDB code: 3ssj was solved by Y.Liu, L.P.Kotra, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	50.00 / 1.40
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	58.416, 103.592, 73.673, 90.00, 90.00, 90.00
*R / R_free (%)*	15.1 / 17

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump (pdb code 3ssj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, PDB code: 3ssj:

Fluorine binding site 1 out of 1 in 3ssj

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Fluorine Binding Sites List in 3ssj

Fluorine binding site 1 out of 1 in the Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F248 b:8.5 occ:1.00	F24	A:FNU248	0.0	8.5	1.0
	C5	A:FNU248	1.4	7.3	1.0
	C6	A:FNU248	2.4	7.0	1.0
	C4	A:FNU248	2.4	6.9	1.0
	N3	A:FNU248	2.8	8.7	1.0
	O4	A:FNU248	2.8	7.4	1.0
	CD1	A:LEU123	3.1	7.3	1.0
	CD2	A:LEU123	3.4	7.9	1.0
	CE	A:LYS72	3.5	7.3	0.5
	CE	A:LYS72	3.6	8.2	0.5
	N2	A:FNU248	3.6	5.9	1.0
	N1	A:FNU248	3.6	5.3	1.0
	CG1	A:VAL155	3.7	7.0	1.0
	CG	A:LEU123	3.9	5.6	1.0
	CG	A:PRO180	4.0	7.3	1.0
	O	A:HOH252	4.0	9.2	1.0
	NZ	A:LYS72	4.1	8.7	0.5
	NZ	A:LYS72	4.1	9.0	0.5
	C2	A:FNU248	4.1	6.8	1.0
	CG	A:MET126	4.5	7.4	1.0
	CD	A:LYS72	4.6	7.9	0.5
	CB	A:VAL155	4.6	6.7	1.0
	CD	A:LYS72	4.7	6.4	0.5
	CB	A:LEU123	4.8	6.8	1.0
	C1'	A:FNU248	4.8	6.2	1.0
	CD	A:PRO180	4.8	6.9	1.0

Reference:

Y.Liu, L.P.Kotra, E.F.Pai. Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump To Be Published.

Page generated: Mon Jul 14 19:22:31 2025

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