Chlorine in PDB 3ole: Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin II03

Enzymatic activity of Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin II03

All present enzymatic activity of Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin II03:
3.2.1.1;

Protein crystallography data

The structure of Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin II03, PDB code: 3ole was solved by X.Qin, L.Ren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	26.16 / 1.55
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	52.325, 67.881, 130.981, 90.00, 90.00, 90.00
*R / R_free (%)*	16.6 / 17.8

Other elements in 3ole:

The structure of Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin II03 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin II03 (pdb code 3ole). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin II03, PDB code: 3ole:

Chlorine binding site 1 out of 1 in 3ole

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Chlorine Binding Sites List in 3ole

Chlorine binding site 1 out of 1 in the Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin II03

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin II03 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl498 b:6.4 occ:1.00	NE	A:ARG195	3.1	6.7	1.0
	NH2	A:ARG337	3.2	6.5	1.0
	O	A:HOH683	3.3	6.5	1.0
	NH1	A:ARG337	3.3	5.3	1.0
	NH2	A:ARG195	3.3	5.7	1.0
	ND2	A:ASN298	3.4	7.0	1.0
	CZ	A:ARG195	3.7	5.8	1.0
	CZ	A:ARG337	3.7	4.6	1.0
	CG2	A:THR254	3.8	5.5	1.0
	CG	A:GLU233	4.0	6.5	1.0
	CZ	A:PHE256	4.1	5.6	1.0
	CD	A:ARG195	4.2	6.9	1.0
	CG	A:ASN298	4.4	7.2	1.0
	CB	A:ASN298	4.4	5.3	1.0
	CB	A:GLU233	4.5	4.9	1.0
	CE2	A:PHE256	4.6	5.7	1.0
	CZ	A:PHE295	4.7	6.1	1.0
	O	A:HOH801	4.8	8.7	1.0
	CB	A:THR254	4.8	4.8	1.0
	CG	A:ARG195	4.9	7.6	1.0
	CD	A:GLU233	4.9	7.2	1.0
	OE2	A:GLU233	4.9	8.2	1.0
	CE1	A:PHE295	5.0	5.6	1.0
	CE1	A:HIS299	5.0	6.7	1.0

Reference:

X.Qin, L.Ren, X.Yang, F.Bai, L.Wang, P.Geng, G.Bai, Y.Shen. Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatins: Implications For Drug Design Against Type II Diabetes. J.Struct.Biol. V. 174 196 2011.
ISSN: ISSN 1047-8477
PubMed: 21111049
DOI: 10.1016/J.JSB.2010.11.020

Page generated: Sun Jul 21 01:45:57 2024

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