Calcium in PDB 2yhw: High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.

Enzymatic activity of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.

All present enzymatic activity of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.:
2.7.1.60;

Protein crystallography data

The structure of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling., PDB code: 2yhw was solved by J.Martinez, L.D.Nguyen, E.Tauberger, S.Hinderlich, R.Zimmer, E.Tauberger, W.Reutter, W.Saenger, H.Fan, S.Moniot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.37 / 1.64
*Space group*	P 4₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	90.730, 90.730, 100.780, 90.00, 90.00, 90.00
*R / R_free (%)*	14.82 / 17.019

Other elements in 2yhw:

The structure of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling. also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling. (pdb code 2yhw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling., PDB code: 2yhw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 2yhw

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Calcium Binding Sites List in 2yhw

Calcium binding site 1 out of 2 in the High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca1724 b:13.0 occ:0.50	CA	A:CA1724	0.0	13.0	0.5
	CA	A:CA1724	1.4	23.5	0.3
	O	A:GLY548	2.4	11.9	1.0
	OD1	A:ASN516	2.5	13.3	1.0
	O	A:ALA565	2.6	12.4	1.0
	O	A:HOH2108	2.6	9.8	1.0
	OD1	A:ASN519	3.3	14.6	1.0
	C	A:ALA565	3.4	12.2	1.0
	CG	A:ASN516	3.4	12.8	1.0
	C	A:GLY548	3.5	11.5	1.0
	CB	A:ALA565	3.8	13.3	1.0
	N	A:GLY548	3.9	12.9	1.0
	O	A:HOH2067	3.9	19.6	1.0
	O	A:ALA564	3.9	14.9	1.0
	CG	A:ASN519	4.0	15.9	1.0
	N	A:ASN519	4.0	12.5	1.0
	CA	A:GLY548	4.1	13.6	1.0
	CA	A:ALA565	4.1	12.2	1.0
	ND2	A:ASN516	4.1	11.4	1.0
	N	A:GLU566	4.2	11.3	1.0
	CA	A:GLY518	4.2	12.2	1.0
	CB	A:ASN516	4.3	11.9	1.0
	C	A:GLY518	4.3	12.0	1.0
	N	A:GLY549	4.5	11.8	1.0
	CA	A:GLU566	4.5	11.2	1.0
	ND2	A:ASN519	4.5	14.0	1.0
	N	A:GLY518	4.5	11.7	1.0
	OE2	A:GLU566	4.7	14.8	1.0
	CA	A:GLY549	4.8	12.3	1.0
	CD	A:GLU566	4.8	14.3	1.0
	CA	A:ASN519	4.8	11.2	1.0
	O4	A:BM31718	4.8	12.3	1.0
	O	A:HOH2111	4.9	13.3	1.0
	C	A:ALA564	4.9	14.0	1.0
	CB	A:ASN519	4.9	11.9	1.0
	CG	A:GLU566	4.9	13.4	1.0
	N	A:ALA565	5.0	12.0	1.0

Calcium binding site 2 out of 2 in 2yhw

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Calcium Binding Sites List in 2yhw

Calcium binding site 2 out of 2 in the High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca1724 b:23.5 occ:0.35	CA	A:CA1724	0.0	23.5	0.3
	CA	A:CA1724	1.4	13.0	0.5
	O	A:ALA564	2.8	14.9	1.0
	O	A:ALA565	3.1	12.4	1.0
	O	A:HOH2067	3.1	19.6	1.0
	OD1	A:ASN516	3.1	13.3	1.0
	OD1	A:ASN519	3.1	14.6	1.0
	C	A:ALA565	3.3	12.2	1.0
	O	A:GLY548	3.5	11.9	1.0
	CG	A:ASN516	3.6	12.8	1.0
	O	A:HOH2111	3.6	13.3	1.0
	O	A:HOH2108	3.6	9.8	1.0
	CB	A:ALA565	3.7	13.3	1.0
	CG	A:ASN519	3.7	15.9	1.0
	ND2	A:ASN519	3.9	14.0	1.0
	CA	A:ALA565	3.9	12.2	1.0
	N	A:GLU566	3.9	11.3	1.0
	C	A:ALA564	4.0	14.0	1.0
	CB	A:ASN516	4.1	11.9	1.0
	ND2	A:ASN516	4.3	11.4	1.0
	N	A:ALA565	4.4	12.0	1.0
	CG	A:GLU566	4.4	13.4	1.0
	OE2	A:GLU566	4.4	14.8	1.0
	CA	A:GLU566	4.5	11.2	1.0
	C	A:GLY548	4.5	11.5	1.0
	O	A:HOH2068	4.6	9.3	1.0
	CD	A:GLU566	4.6	14.3	1.0
	N	A:ASN519	4.7	12.5	1.0
	CB	A:ASN519	4.9	11.9	1.0
	O	A:HOH2110	4.9	10.3	1.0

Reference:

J.Martinez, L.D.Nguyen, E.Tauberger, S.Hinderlich, W.Reutter, H.Fan, W.Saenger, S.Moniot. Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition J.Biol.Chem. V. 287 13656 2012.
ISSN: ISSN 0021-9258
PubMed: 22343627
DOI: 10.1074/JBC.M111.318170

Page generated: Fri Jul 12 19:30:59 2024

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