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Iron in PDB 6txk: Crystal Structure of Thermotoga Maritima E65K Ferritin

Enzymatic activity of Crystal Structure of Thermotoga Maritima E65K Ferritin

All present enzymatic activity of Crystal Structure of Thermotoga Maritima E65K Ferritin:
1.16.3.2;

Protein crystallography data

The structure of Crystal Structure of Thermotoga Maritima E65K Ferritin, PDB code: 6txk was solved by P.Wilk, P.Grudnik, M.Kumar, J.Heddle, S.Chakraborti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.44 / 2.36
*Space group*	H 3 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	175.811, 175.811, 354.136, 90, 90, 120
*R / R_free (%)*	20.1 / 23.7

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Thermotoga Maritima E65K Ferritin (pdb code 6txk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Thermotoga Maritima E65K Ferritin, PDB code: 6txk:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 6txk

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Iron Binding Sites List in 6txk

Iron binding site 1 out of 8 in the Crystal Structure of Thermotoga Maritima E65K Ferritin

Mono view

Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Thermotoga Maritima E65K Ferritin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Fe201 b:94.7 occ:0.47	OE1	A:GLU52	2.4	50.8	1.0
	OE1	A:GLU19	2.6	49.6	1.0
	ND1	A:HIS55	3.1	50.7	1.0
	OE2	A:GLU19	3.2	55.3	1.0
	CD	A:GLU19	3.3	52.0	1.0
	CD	A:GLU52	3.4	44.5	1.0
	OE1	A:GLN129	3.5	48.8	1.0
	CG1	A:VAL99	3.7	37.6	1.0
	OE2	A:GLU52	3.7	47.4	1.0
	CE1	A:HIS55	3.8	49.7	1.0
	OE1	A:GLU132	3.8	85.8	1.0
	CG	A:HIS55	4.2	49.7	1.0
	OE1	A:GLU96	4.2	58.0	1.0
	CD	A:GLN129	4.4	43.7	1.0
	CB	A:HIS55	4.6	42.2	1.0
	OE2	A:GLU96	4.6	56.7	1.0
	CB	A:VAL99	4.6	38.6	1.0
	CD	A:GLU132	4.7	78.0	1.0
	NE2	A:GLN129	4.7	39.4	1.0
	OE2	A:GLU132	4.7	82.6	1.0
	CG	A:GLU52	4.8	42.6	1.0
	CG	A:GLU19	4.8	38.5	1.0
	CG2	A:VAL99	4.8	35.3	1.0
	CD	A:GLU96	4.9	54.5	1.0
	NE2	A:HIS55	5.0	49.8	1.0

Iron binding site 2 out of 8 in 6txk

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Iron Binding Sites List in 6txk

Iron binding site 2 out of 8 in the Crystal Structure of Thermotoga Maritima E65K Ferritin

Mono view

Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Thermotoga Maritima E65K Ferritin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Fe201 b:54.3 occ:0.57	OE2	B:GLU52	2.2	64.7	1.0
	OE1	B:GLU19	2.3	50.5	1.0
	ND1	B:HIS55	2.5	50.0	1.0
	CD	B:GLU52	3.1	57.9	1.0
	CD	B:GLU19	3.1	50.6	1.0
	OE2	B:GLU19	3.3	57.0	1.0
	CE1	B:HIS55	3.3	48.9	1.0
	OE1	B:GLU52	3.4	59.7	1.0
	CG	B:HIS55	3.6	47.2	1.0
	OE1	B:GLN129	3.8	42.0	1.0
	CB	B:HIS55	3.9	35.6	1.0
	CG1	B:VAL99	4.4	36.4	1.0
	OE1	B:GLU96	4.4	48.9	1.0
	NE2	B:HIS55	4.4	49.4	1.0
	CG	B:GLU52	4.5	53.9	1.0
	CG	B:GLU19	4.6	40.5	1.0
	CD2	B:HIS55	4.6	46.5	1.0
	OE2	B:GLU132	4.7	75.3	1.0
	CA	B:GLU52	4.7	38.0	1.0
	CB	B:GLU52	4.7	43.5	1.0
	OE2	B:GLU96	4.8	50.5	1.0
	CD	B:GLN129	4.8	41.8	1.0

Iron binding site 3 out of 8 in 6txk

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Iron Binding Sites List in 6txk

Iron binding site 3 out of 8 in the Crystal Structure of Thermotoga Maritima E65K Ferritin

Mono view

Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Thermotoga Maritima E65K Ferritin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Fe201 b:41.1 occ:0.35	OE1	C:GLU52	1.9	60.8	1.0
	OE1	C:GLU19	2.3	60.0	1.0
	ND1	C:HIS55	2.5	54.5	1.0
	CD	C:GLU19	3.0	58.0	1.0
	CD	C:GLU52	3.1	55.5	1.0
	OE2	C:GLU19	3.1	62.2	1.0
	CE1	C:HIS55	3.4	53.8	1.0
	CG	C:HIS55	3.4	52.5	1.0
	CB	C:HIS55	3.7	47.2	1.0
	CG	C:GLU52	3.8	50.4	1.0
	OE1	C:GLN129	3.9	42.1	1.0
	OE2	C:GLU52	4.0	58.4	1.0
	CG	C:GLU19	4.5	50.5	1.0
	NE2	C:HIS55	4.5	54.9	1.0
	CG1	C:VAL99	4.5	45.1	1.0
	CD2	C:HIS55	4.6	52.7	1.0
	OE1	C:GLU96	4.7	53.8	1.0
	CA	C:GLU52	4.8	39.0	1.0
	CB	C:GLU52	4.9	42.6	1.0
	OE2	C:GLU96	4.9	53.4	1.0
	CD	C:GLN129	4.9	42.6	1.0
	CB	C:GLU19	5.0	47.8	1.0

Iron binding site 4 out of 8 in 6txk

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Iron Binding Sites List in 6txk

Iron binding site 4 out of 8 in the Crystal Structure of Thermotoga Maritima E65K Ferritin

Mono view

Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Thermotoga Maritima E65K Ferritin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
D:Fe201 b:51.4 occ:0.41	OE1	D:GLU52	2.1	66.8	1.0
	OE1	D:GLU19	2.7	53.2	1.0
	ND1	D:HIS55	2.8	53.4	1.0
	CD	D:GLU52	3.0	59.5	1.0
	OE2	D:GLU52	3.1	65.2	1.0
	OE2	D:GLU19	3.4	59.6	1.0
	CE1	D:HIS55	3.5	51.9	1.0
	CD	D:GLU19	3.5	56.0	1.0
	OE1	D:GLN129	3.7	48.7	1.0
	CG	D:HIS55	3.9	52.7	1.0
	OE1	D:GLU96	4.0	61.3	1.0
	CG1	D:VAL99	4.2	36.6	1.0
	OE2	D:GLU96	4.2	59.9	1.0
	OE1	D:GLU132	4.3	69.2	1.0
	CB	D:HIS55	4.4	44.9	1.0
	CG	D:GLU52	4.4	49.2	1.0
	CD	D:GLU96	4.5	60.3	1.0
	CD	D:GLN129	4.7	44.5	1.0
	NE2	D:HIS55	4.7	52.0	1.0
	CB	D:GLU52	4.9	42.4	1.0
	CD2	D:HIS55	4.9	51.5	1.0
	CA	D:GLU52	4.9	41.7	1.0
	NE2	D:GLN129	4.9	41.7	1.0
	CG	D:GLU19	4.9	50.3	1.0
	CD	D:GLU132	5.0	65.5	1.0

Iron binding site 5 out of 8 in 6txk

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Iron Binding Sites List in 6txk

Iron binding site 5 out of 8 in the Crystal Structure of Thermotoga Maritima E65K Ferritin

Mono view

Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Thermotoga Maritima E65K Ferritin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
E:Fe201 b:57.5 occ:0.62	OE1	E:GLU52	2.1	65.8	1.0
	ND1	E:HIS55	2.5	48.9	1.0
	OE1	E:GLU19	2.6	46.5	1.0
	CD	E:GLU52	3.0	57.6	1.0
	CE1	E:HIS55	3.2	44.4	1.0
	OE2	E:GLU52	3.3	60.2	1.0
	OE2	E:GLU19	3.3	48.7	1.0
	CD	E:GLU19	3.3	50.5	1.0
	CG	E:HIS55	3.7	48.3	1.0
	OE1	E:GLN129	3.8	48.9	1.0
	OE1	E:GLU96	4.1	52.0	1.0
	OE1	E:GLU132	4.1	76.8	1.0
	CB	E:HIS55	4.1	43.2	1.0
	CG	E:GLU52	4.4	50.5	1.0
	NE2	E:HIS55	4.4	45.8	1.0
	OE2	E:GLU96	4.4	51.5	1.0
	CG1	E:VAL99	4.5	37.3	1.0
	CD2	E:HIS55	4.7	44.7	1.0
	CD	E:GLU96	4.7	48.4	1.0
	CG	E:GLU19	4.8	51.2	1.0
	CA	E:GLU52	4.8	40.3	1.0
	CD	E:GLN129	4.8	46.7	1.0
	CD	E:GLU132	4.8	74.1	1.0
	CB	E:GLU52	4.8	45.4	1.0

Iron binding site 6 out of 8 in 6txk

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Iron Binding Sites List in 6txk

Iron binding site 6 out of 8 in the Crystal Structure of Thermotoga Maritima E65K Ferritin

Mono view

Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Thermotoga Maritima E65K Ferritin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
F:Fe201 b:49.8 occ:0.40	OE1	F:GLU52	2.0	66.5	1.0
	OE1	F:GLU19	2.5	47.1	1.0
	ND1	F:HIS55	2.5	59.0	1.0
	OE2	F:GLU19	2.8	49.4	1.0
	CD	F:GLU19	3.0	45.6	1.0
	CD	F:GLU52	3.2	58.2	1.0
	CE1	F:HIS55	3.3	60.6	1.0
	OE1	F:GLN129	3.4	47.8	1.0
	CG	F:HIS55	3.6	56.3	1.0
	CB	F:HIS55	4.0	43.1	1.0
	OE2	F:GLU52	4.1	58.8	1.0
	CG	F:GLU52	4.1	49.7	1.0
	CG1	F:VAL99	4.1	37.7	1.0
	OE2	F:GLU96	4.4	61.0	1.0
	CD	F:GLN129	4.4	43.0	1.0
	CG	F:GLU19	4.5	43.1	1.0
	NE2	F:HIS55	4.5	60.7	1.0
	OE1	F:GLU132	4.5	68.1	1.0
	CD2	F:HIS55	4.7	59.2	1.0
	OE1	F:GLU96	4.8	55.6	1.0
	NE2	F:GLN129	4.9	37.9	1.0

Iron binding site 7 out of 8 in 6txk

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Iron Binding Sites List in 6txk

Iron binding site 7 out of 8 in the Crystal Structure of Thermotoga Maritima E65K Ferritin

Mono view

Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Thermotoga Maritima E65K Ferritin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
G:Fe201 b:58.2 occ:0.42	OE1	G:GLU52	2.0	68.1	1.0
	OE1	G:GLU19	2.4	53.8	1.0
	ND1	G:HIS55	2.8	52.0	1.0
	CD	G:GLU52	3.0	60.3	1.0
	OE2	G:GLU19	3.1	51.9	1.0
	CD	G:GLU19	3.1	54.3	1.0
	OE1	G:GLU132	3.4	91.0	1.0
	OE2	G:GLU52	3.4	61.5	1.0
	CE1	G:HIS55	3.6	50.9	1.0
	CG	G:HIS55	3.8	52.9	1.0
	OE1	G:GLN129	3.9	52.9	1.0
	CB	G:HIS55	4.1	49.8	1.0
	CG	G:GLU52	4.3	52.9	1.0
	CG1	G:VAL99	4.4	43.8	1.0
	CG	G:GLU19	4.5	54.2	1.0
	OE1	G:GLU96	4.5	69.5	1.0
	CB	G:GLU52	4.6	47.0	1.0
	CD	G:GLU132	4.7	82.5	1.0
	CA	G:GLU52	4.7	48.5	1.0
	NE2	G:HIS55	4.7	53.0	1.0
	OE2	G:GLU96	4.8	70.3	1.0
	CD2	G:HIS55	4.8	51.8	1.0
	CD	G:GLN129	4.9	51.3	1.0

Iron binding site 8 out of 8 in 6txk

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Iron Binding Sites List in 6txk

Iron binding site 8 out of 8 in the Crystal Structure of Thermotoga Maritima E65K Ferritin

Mono view

Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Thermotoga Maritima E65K Ferritin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
H:Fe201 b:62.3 occ:0.42	OE1	H:GLU52	2.0	78.3	1.0
	OE1	H:GLU19	2.6	60.8	1.0
	CD	H:GLU52	2.9	68.8	1.0
	ND1	H:HIS55	3.0	60.5	1.0
	OE2	H:GLU52	3.1	73.3	1.0
	CD	H:GLU19	3.4	57.0	1.0
	OE2	H:GLU19	3.4	64.6	1.0
	OE2	H:GLU132	3.4	95.0	1.0
	CE1	H:HIS55	3.7	62.2	1.0
	OE1	H:GLN129	3.9	51.4	1.0
	CG	H:HIS55	4.1	59.1	1.0
	OE1	H:GLU96	4.1	72.4	1.0
	CG	H:GLU52	4.3	57.9	1.0
	CG1	H:VAL99	4.3	42.9	1.0
	OE2	H:GLU96	4.3	71.0	1.0
	CD	H:GLU132	4.4	89.6	1.0
	CB	H:HIS55	4.4	49.9	1.0
	CD	H:GLU96	4.7	68.2	1.0
	OE1	H:GLU132	4.7	96.8	1.0
	CB	H:GLU52	4.7	52.0	1.0
	CA	H:GLU52	4.8	49.9	1.0
	NE2	H:HIS55	4.8	60.3	1.0
	CG	H:GLU19	4.8	44.0	1.0
	CD	H:GLN129	4.8	49.7	1.0
	CB	H:SER22	5.0	51.7	1.0
	OG	H:SER22	5.0	60.4	1.0

Reference:

P.Wilk, P.Grudnik, M.Kumar, J.Heddle, S.Chakraborti. Crystal Structure of Thermotoga Maritima Ferritin in Apo Form To Be Published.

Page generated: Wed Aug 7 11:51:42 2024

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