Chlorine in PDB 6d61: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa

Enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa:
1.13.11.6;

Protein crystallography data

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa, PDB code: 6d61 was solved by Y.Yang, F.Liu, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.35 / 1.74
*Space group*	P 6₅ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	58.701, 58.701, 231.896, 90.00, 90.00, 120.00
*R / R_free (%)*	19.9 / 23.7

Other elements in 6d61:

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa (pdb code 6d61). 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 Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa, PDB code: 6d61:

Chlorine binding site 1 out of 1 in 6d61

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Chlorine Binding Sites List in 6d61

Chlorine binding site 1 out of 1 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans in Complex with 4-Cl-3-Haa within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl203 b:44.9 occ:0.76	CLAE	A:4AA203	0.0	44.9	0.8
	CAJ	A:4AA203	1.8	34.4	0.8
	CAK	A:4AA203	2.7	31.2	0.8
	CAF	A:4AA203	2.8	34.7	0.8
	O	A:HOH379	2.9	31.9	1.0
	OAD	A:4AA203	3.0	28.8	0.8
	O	A:HOH543	3.0	45.5	1.0
	O	A:HOH328	3.4	29.7	1.0
	OE1	A:GLU110	3.4	38.1	1.0
	O	A:HOH428	3.7	37.9	1.0
	OG1	A:THR39	3.8	22.3	1.0
	CG2	A:THR39	4.0	21.8	1.0
	O	A:HOH363	4.0	24.5	1.0
	CAI	A:4AA203	4.0	26.2	0.8
	CAG	A:4AA203	4.1	30.9	0.8
	CB	A:THR39	4.2	19.8	1.0
	O	A:HOH487	4.5	50.3	1.0
	O	A:HOH500	4.5	34.5	1.0
	CAL	A:4AA203	4.6	29.1	0.8
	CD	A:GLU110	4.6	27.6	1.0
	O	A:HOH336	4.6	23.6	1.0
	O	A:HOH315	4.6	39.6	1.0
	O	A:HOH464	4.8	38.4	1.0
	OD1	A:ASN27	4.9	38.4	1.0

Reference:

Y.Yang, F.Liu, A.Liu. Adapting to Oxygen: 3-Hydroxyanthrinilate 3,4-Dioxygenase Employs Loop Dynamics to Accommodate Two Substrates with Disparate Polarities. J. Biol. Chem. V. 293 10415 2018.
ISSN: ESSN 1083-351X
PubMed: 29784877
DOI: 10.1074/JBC.RA118.002698

Page generated: Sat Jul 27 21:24:30 2024

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