Manganese in PDB 7etb: Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

Enzymatic activity of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

All present enzymatic activity of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii:
4.1.2.52;

Protein crystallography data

The structure of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii, PDB code: 7etb was solved by P.Watthaisong, A.Binlaeh, A.Jaruwat, P.Chaiyen, P.Chitnumsub, S.Maenpuen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	28.45 / 1.85
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	147.724, 90.345, 86.6, 90, 122.26, 90
*R / R_free (%)*	14.6 / 17.7

Other elements in 7etb:

The structure of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii (pdb code 7etb). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii, PDB code: 7etb:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 7etb

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Manganese Binding Sites List in 7etb

Manganese binding site 1 out of 3 in the Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn302 b:13.8 occ:1.00	O3	A:PYR301	2.1	14.5	1.0
	OE2	A:GLU151	2.1	11.3	1.0
	O	A:HOH438	2.2	11.5	1.0
	OD2	A:ASP177	2.2	12.9	1.0
	O2	A:PYR301	2.2	12.1	1.0
	O	C:HOH459	2.2	14.0	1.0
	C2	A:PYR301	2.8	13.5	1.0
	C1	A:PYR301	2.9	14.2	1.0
	CD	A:GLU151	3.1	12.1	1.0
	CG	A:ASP177	3.2	12.9	1.0
	OE1	A:GLU151	3.5	11.6	1.0
	CB	A:ASP177	3.6	12.9	1.0
	NE2	A:GLN149	3.8	13.7	1.0
	O	A:HOH436	3.9	11.6	1.0
	NH1	A:ARG72	4.0	11.7	1.0
	O1	A:PYR301	4.2	13.0	1.0
	O	C:VAL120	4.2	16.2	1.0
	C3	A:PYR301	4.3	10.9	1.0
	OD1	A:ASP177	4.3	12.3	1.0
	O	A:HOH554	4.4	27.7	1.0
	N	A:ASP177	4.4	13.2	1.0
	CG	A:GLU151	4.5	11.0	1.0
	OE1	A:GLU46	4.5	11.7	1.0
	CA	A:GLY174	4.5	13.5	1.0
	CA	A:ASP177	4.6	13.2	1.0
	CD	A:GLN149	4.8	13.8	1.0
	CB	A:GLU151	4.8	12.1	1.0
	CZ	A:ARG72	4.9	11.8	1.0
	NE2	A:HIS47	5.0	11.3	1.0

Manganese binding site 2 out of 3 in 7etb

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Manganese Binding Sites List in 7etb

Manganese binding site 2 out of 3 in the Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mn301 b:13.1 occ:1.00	O3	B:PYR300	2.1	13.8	1.0
	OE2	B:GLU151	2.1	11.4	1.0
	O	B:HOH447	2.2	12.6	1.0
	OD2	B:ASP177	2.2	12.9	1.0
	O	A:HOH507	2.2	13.3	1.0
	O1	B:PYR300	2.2	12.7	1.0
	C2	B:PYR300	2.8	14.3	1.0
	C1	B:PYR300	2.9	15.2	1.0
	CD	B:GLU151	3.2	12.6	1.0
	CG	B:ASP177	3.2	12.4	1.0
	OE1	B:GLU151	3.5	13.0	1.0
	CB	B:ASP177	3.6	12.7	1.0
	NE2	B:GLN149	3.8	13.3	1.0
	O	B:HOH459	3.9	12.2	1.0
	NH1	B:ARG72	4.0	11.7	1.0
	O2	B:PYR300	4.2	14.2	1.0
	O	A:VAL120	4.3	14.8	1.0
	C3	B:PYR300	4.3	11.5	1.0
	OD1	B:ASP177	4.3	12.6	1.0
	O	B:HOH569	4.4	25.5	1.0
	N	B:ASP177	4.4	12.5	1.0
	CG	B:GLU151	4.5	12.1	1.0
	OE1	B:GLU46	4.5	13.9	1.0
	CA	B:GLY174	4.5	13.8	1.0
	CA	B:ASP177	4.6	13.1	1.0
	CD	B:GLN149	4.8	13.9	1.0
	CB	B:GLU151	4.8	12.1	1.0
	CZ	B:ARG72	4.9	12.3	1.0
	NE2	B:HIS47	5.0	12.5	1.0

Manganese binding site 3 out of 3 in 7etb

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Manganese Binding Sites List in 7etb

Manganese binding site 3 out of 3 in the Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Mn301 b:13.4 occ:1.00	O3	C:PYR300	2.1	13.7	1.0
	O	C:HOH434	2.1	11.8	1.0
	OE2	C:GLU151	2.1	12.5	1.0
	O2	C:PYR300	2.2	12.3	1.0
	O	B:HOH472	2.2	14.2	1.0
	OD2	C:ASP177	2.2	12.1	1.0
	C2	C:PYR300	2.9	13.8	1.0
	C1	C:PYR300	2.9	14.7	1.0
	CD	C:GLU151	3.1	13.5	1.0
	CG	C:ASP177	3.2	11.4	1.0
	OE1	C:GLU151	3.5	12.8	1.0
	CB	C:ASP177	3.6	11.6	1.0
	NE2	C:GLN149	3.8	12.8	1.0
	O	C:HOH452	3.8	10.5	1.0
	NH1	C:ARG72	4.0	14.2	1.0
	O1	C:PYR300	4.2	13.8	1.0
	O	B:VAL120	4.2	14.3	1.0
	C3	C:PYR300	4.3	12.0	1.0
	OD1	C:ASP177	4.4	11.2	1.0
	O	C:HOH569	4.4	26.2	1.0
	N	C:ASP177	4.4	12.3	1.0
	CG	C:GLU151	4.5	11.7	1.0
	OE1	C:GLU46	4.5	12.9	1.0
	CA	C:GLY174	4.5	14.7	1.0
	CA	C:ASP177	4.6	12.0	1.0
	CD	C:GLN149	4.7	13.2	1.0
	CB	C:GLU151	4.8	12.1	1.0
	CZ	C:ARG72	4.9	13.7	1.0
	NE2	C:HIS47	5.0	12.1	1.0
	OE1	C:GLN149	5.0	15.1	1.0

Reference:

P.Watthaisong, A.Binlaeh, A.Jaruwat, N.Lawan, J.Tantipisit, J.Jaroensuk, L.Chuaboon, J.Phonbuppha, R.Tinikul, P.Chaiyen, P.Chitnumsub, S.Maenpuen. Catalytic and Structural Insights Into A Stereospecific and Thermostable Class II Aldolase Hpai From Acinetobacter Baumannii. J.Biol.Chem. 01280 2021.
ISSN: ESSN 1083-351X
PubMed: 34624314
DOI: 10.1016/J.JBC.2021.101280

Page generated: Sun Oct 6 08:32:28 2024

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