Chlorine in PDB 3oli: Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin IV03

Enzymatic activity of Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin IV03

All present enzymatic activity of Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin IV03:
3.2.1.1;

Protein crystallography data

The structure of Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin IV03, PDB code: 3oli 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)*	35.88 / 1.50
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	52.574, 74.449, 134.897, 90.00, 90.00, 90.00
*R / R_free (%)*	17.1 / 17.7

Other elements in 3oli:

The structure of Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin IV03 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 IV03 (pdb code 3oli). 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 IV03, PDB code: 3oli:

Chlorine binding site 1 out of 1 in 3oli

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Chlorine Binding Sites List in 3oli

Chlorine binding site 1 out of 1 in the Structures of Human Pancreatic Alpha-Amylase in Complex with Acarviostatin IV03

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 IV03 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl498 b:9.0 occ:1.00	NE	A:ARG195	3.1	9.3	1.0
	NH2	A:ARG337	3.2	8.8	1.0
	O	A:HOH585	3.3	9.9	1.0
	NH2	A:ARG195	3.3	9.5	1.0
	NH1	A:ARG337	3.4	7.3	1.0
	ND2	A:ASN298	3.4	7.3	1.0
	CZ	A:ARG195	3.7	8.2	1.0
	CZ	A:ARG337	3.7	8.6	1.0
	CG2	A:THR254	3.8	9.4	1.0
	CZ	A:PHE256	4.1	7.7	1.0
	CG	A:GLU233	4.1	10.3	1.0
	CD	A:ARG195	4.2	9.9	1.0
	CG	A:ASN298	4.4	8.9	1.0
	CB	A:ASN298	4.4	7.8	1.0
	CB	A:GLU233	4.5	9.0	1.0
	CE2	A:PHE256	4.7	8.2	1.0
	CZ	A:PHE295	4.8	8.7	1.0
	CB	A:THR254	4.8	9.0	1.0
	O	A:HOH586	4.9	12.4	1.0
	CG	A:ARG195	4.9	9.2	1.0
	CD	A:GLU233	4.9	12.9	1.0
	OE2	A:GLU233	5.0	14.6	1.0
	NH1	A:ARG195	5.0	10.1	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 01:46:39 2024

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