Magnesium in PDB 1u54: Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp

Enzymatic activity of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp

All present enzymatic activity of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp:
2.7.1.112;

Protein crystallography data

The structure of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp, PDB code: 1u54 was solved by J.C.Lougheed, R.H.Chen, P.Mak, T.J.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	38.71 / 2.80
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	200.384, 42.332, 70.848, 90.00, 96.28, 90.00
*R / R_free (%)*	22.2 / 32.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp (pdb code 1u54). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp, PDB code: 1u54:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1u54

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Magnesium Binding Sites List in 1u54

Magnesium binding site 1 out of 4 in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg398 b:48.6 occ:1.00	O2G	A:ACP101	2.1	49.8	1.0
	OD1	A:ASP270	2.4	31.0	1.0
	O2B	A:ACP101	2.4	51.5	1.0
	C3B	A:ACP101	2.8	53.1	1.0
	MG	A:MG399	3.0	48.0	1.0
	PG	A:ACP101	3.0	56.9	1.0
	PB	A:ACP101	3.0	56.1	1.0
	OD2	A:ASP270	3.1	37.2	1.0
	CG	A:ASP270	3.2	32.8	1.0
	O3A	A:ACP101	3.3	50.3	1.0
	O1G	A:ACP101	3.7	43.5	1.0
	O3G	A:ACP101	4.2	49.0	1.0
	NZ	A:LYS158	4.3	31.2	1.0
	PA	A:ACP101	4.4	54.4	1.0
	O1A	A:ACP101	4.4	51.5	1.0
	O1B	A:ACP101	4.5	57.4	1.0
	CB	A:ASP270	4.7	30.9	1.0
	O2A	A:ACP101	4.9	56.0	1.0

Magnesium binding site 2 out of 4 in 1u54

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Magnesium Binding Sites List in 1u54

Magnesium binding site 2 out of 4 in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg399 b:48.0 occ:1.00	O3A	A:ACP101	2.3	50.3	1.0
	OD1	A:ASP270	2.4	31.0	1.0
	O2G	A:ACP101	2.5	49.8	1.0
	O1G	A:ACP101	2.5	43.5	1.0
	O2A	A:ACP101	2.6	56.0	1.0
	ND2	A:ASN257	2.9	19.3	1.0
	MG	A:MG398	3.0	48.6	1.0
	PG	A:ACP101	3.0	56.9	1.0
	PA	A:ACP101	3.0	54.4	1.0
	PB	A:ACP101	3.5	56.1	1.0
	CG	A:ASP270	3.5	32.8	1.0
	O1A	A:ACP101	3.8	51.5	1.0
	O2B	A:ACP101	3.9	51.5	1.0
	C3B	A:ACP101	3.9	53.1	1.0
	CG	A:ASN257	4.0	25.6	1.0
	CB	A:ASP270	4.2	30.9	1.0
	OD2	A:ASP270	4.3	37.2	1.0
	O3G	A:ACP101	4.3	49.0	1.0
	OD1	A:ASN257	4.4	29.4	1.0
	O5'	A:ACP101	4.4	53.5	1.0
	O1B	A:ACP101	4.6	57.4	1.0
	C5'	A:ACP101	4.7	50.6	1.0

Magnesium binding site 3 out of 4 in 1u54

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Magnesium Binding Sites List in 1u54

Magnesium binding site 3 out of 4 in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mg398 b:57.5 occ:1.00	OD1	B:ASP270	2.6	28.6	1.0
	OD2	B:ASP270	2.7	30.4	1.0
	O1G	B:ACP400	2.9	52.2	1.0
	CG	B:ASP270	3.0	31.0	1.0
	O2B	B:ACP400	3.0	54.7	1.0
	CA	B:GLY272	4.1	26.9	1.0
	OD2	B:ASP252	4.3	32.8	1.0
	MG	B:MG399	4.4	55.6	1.0
	N	B:GLY272	4.4	27.1	1.0
	CB	B:ASP270	4.4	29.1	1.0
	PG	B:ACP400	4.5	59.4	1.0
	PB	B:ACP400	4.5	58.5	1.0
	NZ	B:LYS158	4.7	26.5	1.0
	CG	B:LEU273	4.7	24.9	1.0
	C	B:GLY272	4.7	26.8	1.0
	N	B:LEU273	4.9	26.6	1.0

Magnesium binding site 4 out of 4 in 1u54

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Magnesium Binding Sites List in 1u54

Magnesium binding site 4 out of 4 in the Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1 Bound to Amp-Pcp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mg399 b:55.6 occ:1.00	O3G	B:ACP400	1.9	54.2	1.0
	OD1	B:ASP270	2.5	28.6	1.0
	OD1	B:ASN257	2.5	20.8	1.0
	O2A	B:ACP400	2.6	47.5	1.0
	PG	B:ACP400	2.7	59.4	1.0
	O1G	B:ACP400	2.7	52.2	1.0
	CG	B:ASN257	3.3	22.9	1.0
	ND2	B:ASN257	3.3	20.0	1.0
	CG	B:ASP270	3.6	31.0	1.0
	C3B	B:ACP400	3.6	53.2	1.0
	O2B	B:ACP400	3.7	54.7	1.0
	OD2	B:ASP252	4.0	32.8	1.0
	O2G	B:ACP400	4.0	58.2	1.0
	CB	B:ASP270	4.0	29.1	1.0
	PA	B:ACP400	4.1	53.3	1.0
	PB	B:ACP400	4.3	58.5	1.0
	NE	B:ARG256	4.4	27.6	1.0
	MG	B:MG398	4.4	57.5	1.0
	CD	B:ARG256	4.5	28.0	1.0
	CG	B:ARG256	4.5	27.8	1.0
	OD2	B:ASP270	4.7	30.4	1.0
	CB	B:ASN257	4.7	24.9	1.0
	O3A	B:ACP400	4.7	51.0	1.0
	O1A	B:ACP400	4.9	48.2	1.0

Reference:

J.C.Lougheed, R.H.Chen, P.Mak, T.J.Stout. Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1. J.Biol.Chem. V. 279 44039 2004.
ISSN: ISSN 0021-9258
PubMed: 15308621
DOI: 10.1074/JBC.M406703200

Page generated: Tue Aug 13 14:44:43 2024

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