Calcium in PDB 6ml1: Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv

Enzymatic activity of Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv

All present enzymatic activity of Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv:
3.4.19.12;

Protein crystallography data

The structure of Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv, PDB code: 6ml1 was solved by A.U.Singer, J.Teyra, G.Boehmelt, M.Lenter, F.Sicheri, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	49.32 / 1.90
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.770, 115.290, 95.320, 90.00, 91.92, 90.00
*R / R_free (%)*	18.9 / 22

Other elements in 6ml1:

The structure of Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Chlorine	(Cl)	2 atoms
Sodium	(Na)	4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv (pdb code 6ml1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv, PDB code: 6ml1:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 6ml1

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Calcium Binding Sites List in 6ml1

Calcium binding site 1 out of 4 in the Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca1001 b:19.0 occ:1.00	OD1	A:ASP858	2.4	19.6	1.0
	O	B:HOH1137	2.4	20.6	1.0
	O	A:HOH1134	2.4	17.7	1.0
	OD1	B:ASP858	2.4	20.1	1.0
	OE1	A:GLN933	2.5	19.8	1.0
	OE1	B:GLN933	2.5	20.9	1.0
	OD2	A:ASP858	2.6	24.1	1.0
	OD2	B:ASP858	2.8	25.1	1.0
	CG	A:ASP858	2.8	21.7	1.0
	CG	B:ASP858	2.9	24.1	1.0
	CD	B:GLN933	3.5	22.2	1.0
	CD	A:GLN933	3.5	21.5	1.0
	NE2	B:GLN933	3.8	17.8	1.0
	NE2	A:GLN933	3.8	19.4	1.0
	OD1	A:ASN876	4.3	17.8	1.0
	OD1	B:ASN876	4.3	17.1	1.0
	CB	A:ASP858	4.3	21.5	1.0
	CB	B:ASP858	4.4	21.1	1.0
	ND2	B:ASN876	4.5	21.9	1.0
	CD	B:ARG874	4.5	23.7	1.0
	ND2	A:ASN876	4.5	20.0	1.0
	CD	A:ARG874	4.6	23.4	1.0
	CL	B:CL1004	4.6	47.3	0.6
	O	A:HOH1238	4.7	45.9	1.0
	CG	B:GLN933	4.8	26.9	1.0
	CG	A:GLN933	4.8	21.3	1.0
	CG	B:ASN876	4.8	18.8	1.0
	CG	A:ASN876	4.9	20.0	1.0
	N	A:ASP858	4.9	18.8	1.0
	N	B:ASP858	5.0	19.0	1.0
	CA	A:ASP858	5.0	17.5	1.0

Calcium binding site 2 out of 4 in 6ml1

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Calcium Binding Sites List in 6ml1

Calcium binding site 2 out of 4 in the Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca1002 b:31.3 occ:1.00	O	A:HOH1233	2.3	46.9	1.0
	NE2	G:HIS14	2.3	46.3	1.0
	O	G:HOH103	2.4	27.2	1.0
	SG	A:CYS873	2.4	35.8	1.0
	CD2	G:HIS14	2.9	43.1	1.0
	CB	A:CYS873	3.4	31.0	1.0
	CE1	G:HIS14	3.5	52.4	1.0
	CA	A:CYS873	3.7	28.6	1.0
	CD	A:ARG932	3.8	35.7	1.0
	NH1	A:ARG932	4.0	35.8	1.0
	O	A:GLY872	4.1	34.7	1.0
	N	A:CYS873	4.2	33.6	1.0
	CG	G:HIS14	4.2	46.7	1.0
	CB	G:ALA12	4.3	51.0	1.0
	NE	A:ARG932	4.3	34.5	1.0
	C	A:GLY872	4.4	39.4	1.0
	CZ	A:ARG932	4.4	38.6	1.0
	ND1	G:HIS14	4.5	51.5	1.0
	CG	A:ARG932	4.9	35.0	1.0

Calcium binding site 3 out of 4 in 6ml1

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Calcium Binding Sites List in 6ml1

Calcium binding site 3 out of 4 in the Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ca1001 b:62.0 occ:1.00	OE1	B:GLU450	2.3	56.3	1.0
	OE1	B:GLU814	2.6	70.7	1.0
	CD	B:GLU450	2.9	61.4	1.0
	OE2	B:GLU450	3.0	56.2	1.0
	CD	B:GLU814	3.3	71.2	1.0
	OE2	B:GLU814	3.5	70.0	1.0
	NE2	B:GLN816	3.7	45.5	1.0
	CG	B:GLU450	4.2	56.9	1.0
	O	B:HOH1122	4.5	55.3	1.0
	SG	B:CYS812	4.5	41.3	1.0
	CB	B:CYS812	4.6	46.5	1.0
	CG	B:GLU814	4.7	59.1	1.0
	CD	B:GLN816	4.8	57.3	1.0
	CB	B:GLU450	4.8	48.8	1.0
	CB	B:GLU814	4.9	52.6	1.0

Calcium binding site 4 out of 4 in 6ml1

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Calcium Binding Sites List in 6ml1

Calcium binding site 4 out of 4 in the Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of the USP15 Deubiquitinase Domain in Complex with An Affinity-Matured Inhibitory Ubv within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Ca101 b:62.7 occ:1.00	O	C:LYS33	2.6	49.3	1.0
	C	C:LYS33	3.8	53.4	1.0
	OE2	C:GLU34	3.9	60.1	1.0
	CA	C:GLU34	4.4	48.0	1.0
	CD	C:GLU34	4.5	55.1	1.0
	O	C:HOH203	4.6	40.0	1.0
	N	C:GLU34	4.6	44.3	1.0
	CA	C:LYS33	4.9	46.1	1.0

Reference:

J.Teyra, A.U.Singer, F.W.Schmitges, P.Jaynes, S.Kit Leng Lui, M.J.Polyak, N.Fodil, J.R.Krieger, J.Tong, C.Schwerdtfeger, B.B.Brasher, D.F.J.Ceccarelli, J.Moffat, F.Sicheri, M.F.Moran, P.Gros, P.J.A.Eichhorn, M.Lenter, G.Boehmelt, S.S.Sidhu. Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15. Structure V. 27 590 2019.
ISSN: ISSN 1878-4186
PubMed: 30713027
DOI: 10.1016/J.STR.2019.01.002

Page generated: Tue Jul 16 11:24:00 2024

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