Manganese in PDB 6dvv: 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+.

Enzymatic activity of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+.

All present enzymatic activity of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+.:
3.2.1.122;

Protein crystallography data

The structure of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+., PDB code: 6dvv was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, M.Endres, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	28.99 / 2.25
*Space group*	P 3₂ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	86.027, 86.027, 230.777, 90.00, 90.00, 120.00
*R / R_free (%)*	16.4 / 21.9

Other elements in 6dvv:

The structure of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+. also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+. (pdb code 6dvv). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+., PDB code: 6dvv:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 6dvv

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Manganese Binding Sites List in 6dvv

Manganese binding site 1 out of 2 in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+.

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn502 b:76.1 occ:1.00	NE2	A:HIS200	2.2	56.5	1.0
	O	A:HOH669	2.3	70.6	1.0
	O	A:HOH602	2.4	52.1	1.0
	O	A:HOH704	2.5	56.4	1.0
	SG	A:CYS169	2.5	56.4	1.0
	OD1	A:ASN147	2.7	79.5	1.0
	CD2	A:HIS200	3.1	51.2	1.0
	CE1	A:HIS200	3.2	59.0	1.0
	ND2	A:ASN147	3.3	70.7	1.0
	CG	A:ASN147	3.4	68.2	1.0
	CB	A:CYS169	3.7	49.3	1.0
	O	A:HOH622	3.8	63.7	1.0
	OD1	A:ASN199	4.1	53.6	1.0
	O	A:HOH637	4.1	52.1	1.0
	ND2	A:ASN199	4.2	44.2	1.0
	OD1	A:ASP170	4.2	64.6	1.0
	CA	A:CYS169	4.2	52.2	1.0
	CG	A:HIS200	4.2	51.9	1.0
	ND1	A:HIS200	4.3	55.8	1.0
	N	A:ASP170	4.5	56.9	1.0
	CG	A:ASN199	4.6	48.9	1.0
	N	A:MSE171	4.8	52.2	1.0
	CB	A:ASN147	4.9	69.5	1.0
	C	A:CYS169	4.9	52.9	1.0
	O	A:HOH698	4.9	40.4	1.0
	CB	A:MSE171	5.0	54.0	1.0

Manganese binding site 2 out of 2 in 6dvv

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Manganese Binding Sites List in 6dvv

Manganese binding site 2 out of 2 in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+.

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mn501 b:73.8 occ:1.00	O	B:HOH622	2.2	66.1	1.0
	NE2	B:HIS200	2.3	50.6	1.0
	SG	B:CYS169	2.4	59.1	1.0
	O	B:HOH752	2.6	57.2	1.0
	O	B:HOH722	3.0	55.7	1.0
	CE1	B:HIS200	3.2	50.3	1.0
	OD1	B:ASN147	3.3	99.4	1.0
	CD2	B:HIS200	3.3	51.8	1.0
	ND2	B:ASN147	3.5	85.9	1.0
	CB	B:CYS169	3.6	57.8	1.0
	CG	B:ASN147	3.8	94.9	1.0
	CA	B:CYS169	4.0	57.4	1.0
	O	B:HOH603	4.0	53.6	1.0
	OD1	B:ASP170	4.3	66.7	1.0
	N	B:ASP170	4.3	51.9	1.0
	ND2	B:ASN199	4.3	46.1	1.0
	ND1	B:HIS200	4.4	52.2	1.0
	CG	B:HIS200	4.5	50.5	1.0
	OD1	B:ASN199	4.5	46.8	1.0
	C	B:CYS169	4.6	55.5	1.0
	N	B:MSE171	4.8	49.9	1.0
	CG	B:ASN199	4.9	44.3	1.0
	CB	B:MSE171	4.9	53.3	1.0

Reference:

G.Minasov, L.Shuvalova, O.Kiryukhina, M.Endres, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha-Glucosidase From Klebsiella Pneumoniae in Complex with Nad and MN2+. To Be Published.

Page generated: Sun Oct 6 04:12:31 2024

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