Cadmium in PDB 6rps: X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment

Enzymatic activity of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment

All present enzymatic activity of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment:
4.2.1.1;

Protein crystallography data

The structure of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment, PDB code: 6rps was solved by V.Alterio, D.Esposito, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	49.65 / 2.79
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	77.335, 222.165, 266.988, 90.00, 90.00, 90.00
*R / R_free (%)*	20.3 / 23.1

Other elements in 6rps:

The structure of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	2 atoms

Cadmium Binding Sites:

The binding sites of Cadmium atom in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment (pdb code 6rps). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment, PDB code: 6rps:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in 6rps

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Cadmium Binding Sites List in 6rps

Cadmium binding site 1 out of 4 in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment

Mono view

Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cd304 b:88.6 occ:1.00	OE1	A:GLU183	2.4	69.4	1.0
	OE2	A:GLU187	2.4	86.5	1.0
	OE1	A:GLU187	2.4	93.3	1.0
	OE2	A:GLU183	2.4	71.6	1.0
	CD	A:GLU187	2.7	82.6	1.0
	CD	A:GLU183	2.8	59.4	1.0
	CG	A:GLU187	4.3	72.4	1.0
	CG	A:GLU183	4.3	52.6	1.0

Cadmium binding site 2 out of 4 in 6rps

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Cadmium Binding Sites List in 6rps

Cadmium binding site 2 out of 4 in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment

Mono view

Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cd306 b:50.9 occ:0.50	NE2	A:HIS34	2.3	34.9	1.0
	ND1	B:HIS103	2.3	63.7	1.0
	OD1	B:ASP102	2.4	49.6	1.0
	OD2	B:ASP102	2.4	45.2	1.0
	OD1	A:ASP36	2.4	45.0	1.0
	CD2	A:HIS34	2.6	30.9	1.0
	CG	B:ASP102	2.7	44.1	1.0
	CE1	B:HIS103	3.1	70.1	1.0
	CG	A:ASP36	3.3	33.7	1.0
	CG	B:HIS103	3.4	59.2	1.0
	CE1	A:HIS34	3.5	33.1	1.0
	CB	B:HIS103	3.9	49.6	1.0
	CG	A:HIS34	3.9	29.6	1.0
	CB	A:ASP36	3.9	30.9	1.0
	CB	B:ASP102	4.1	42.2	1.0
	OD2	A:ASP36	4.1	34.1	1.0
	NE2	B:HIS103	4.3	68.0	1.0
	ND1	A:HIS34	4.3	31.8	1.0
	CD2	B:HIS103	4.5	60.6	1.0
	CA	B:ASP102	4.7	43.1	1.0
	C	B:ASP102	4.9	42.1	1.0
	N	B:HIS103	5.0	39.5	1.0

Cadmium binding site 3 out of 4 in 6rps

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Cadmium Binding Sites List in 6rps

Cadmium binding site 3 out of 4 in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment

Mono view

Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cd307 b:35.1 occ:0.50	NE2	B:HIS34	2.2	32.5	1.0
	O	A:HOH402	2.3	23.9	1.0
	OD2	A:ASP102	2.4	46.6	1.0
	OD1	B:ASP36	2.4	42.1	1.0
	OD2	B:ASP36	2.4	42.8	1.0
	OD1	A:ASP102	2.4	38.9	1.0
	CG	A:ASP102	2.5	41.1	1.0
	CG	B:ASP36	2.7	40.4	1.0
	CD2	B:HIS34	3.0	30.2	1.0
	CE1	B:HIS34	3.3	33.0	1.0
	CB	A:ASP102	3.7	36.2	1.0
	CB	B:ASP36	4.2	36.7	1.0
	CG2	B:ILE37	4.2	23.4	1.0
	CG	B:HIS34	4.3	30.2	1.0
	ND1	B:HIS34	4.4	33.7	1.0
	CA	A:ASP102	4.8	33.1	1.0

Cadmium binding site 4 out of 4 in 6rps

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Cadmium Binding Sites List in 6rps

Cadmium binding site 4 out of 4 in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment

Mono view

Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cd303 b:64.1 occ:1.00	OE2	B:GLU183	2.4	57.9	1.0
	OE2	B:GLU187	2.4	67.1	1.0
	OE1	B:GLU187	2.4	68.6	1.0
	OE1	B:GLU183	2.4	56.7	1.0
	CD	B:GLU187	2.7	59.0	1.0
	CD	B:GLU183	2.8	48.7	1.0
	CG	B:GLU187	4.3	49.8	1.0
	CG	B:GLU183	4.3	39.7	1.0

Reference:

V.Alterio, M.Kellner, D.Esposito, F.Liesche-Starnecker, S.Bua, C.T.Supuran, S.M.Monti, R.Zeidler, G.De Simone. Biochemical and Structural Insights Into Carbonic Anhydrase XII/FAB6A10 Complex. J.Mol.Biol. 2019.
ISSN: ESSN 1089-8638
PubMed: 31682835
DOI: 10.1016/J.JMB.2019.10.022

Page generated: Fri Jul 19 19:37:34 2024

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