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Cadmium in PDB 5mn3: uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains

Cadmium Binding Sites:

The binding sites of Cadmium atom in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains (pdb code 5mn3). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 9 binding sites of Cadmium where determined in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains, PDB code: 5mn3:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Cadmium binding site 1 out of 9 in 5mn3

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Cadmium binding site 1 out of 9 in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd200

b:0.0
occ:1.00
HB2 A:CYS95 2.5 0.0 1.0
SG A:CYS93 2.7 0.0 1.0
SG A:CYS87 2.8 0.0 1.0
SG A:CYS99 2.8 0.0 1.0
SG A:CYS95 2.8 0.0 1.0
CB A:CYS95 3.1 0.0 1.0
HA A:CYS93 3.4 0.0 1.0
HB2 A:LYS85 3.5 0.0 1.0
H A:CYS95 3.6 0.0 1.0
HB3 A:CYS87 3.6 0.0 1.0
HB2 A:CYS93 3.7 0.0 1.0
CB A:CYS93 3.7 0.0 1.0
HB3 A:CYS95 3.7 0.0 1.0
SG A:CYS74 3.8 0.0 1.0
CB A:CYS87 3.9 0.0 1.0
HG3 A:LYS85 4.0 0.0 1.0
CA A:CYS93 4.1 0.0 1.0
HE3 A:LYS102 4.1 0.0 1.0
HB3 A:LYS85 4.2 0.0 1.0
HB2 A:CYS87 4.2 0.0 1.0
N A:CYS95 4.3 0.0 1.0
CB A:LYS85 4.3 0.0 1.0
CA A:CYS95 4.3 0.0 1.0
CB A:CYS99 4.3 0.0 1.0
SG A:CYS83 4.3 0.0 1.0
HB2 A:CYS99 4.4 0.0 1.0
HB2 A:CYS74 4.6 0.0 1.0
H A:LYS94 4.6 0.0 1.0
HZ3 A:LYS85 4.6 0.0 1.0
CG A:LYS85 4.6 0.0 1.0
C A:CYS93 4.7 0.0 1.0
HB3 A:CYS93 4.7 0.0 1.0
HB3 A:CYS99 4.7 0.0 1.0
HE2 A:LYS102 4.8 0.0 1.0
N A:LYS94 4.8 0.0 1.0
CD A:CD202 4.9 0.0 1.0
CB A:CYS74 4.9 0.0 1.0
H A:CYS87 4.9 0.0 1.0
HG2 A:LYS85 4.9 0.0 1.0
CE A:LYS102 5.0 0.0 1.0

Cadmium binding site 2 out of 9 in 5mn3

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Cadmium binding site 2 out of 9 in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd201

b:0.0
occ:1.00
H A:CYS87 2.5 0.0 1.0
SG A:CYS81 2.7 0.0 1.0
SG A:CYS87 2.8 0.0 1.0
SG A:CYS83 2.8 0.0 1.0
SG A:CYS76 2.8 0.0 1.0
H A:LYS82 3.0 0.0 1.0
H A:GLY84 3.0 0.0 1.0
H A:GLY86 3.0 0.0 1.0
O A:CYS87 3.0 0.0 1.0
H A:LYS85 3.1 0.0 1.0
HA A:CYS81 3.3 0.0 1.0
H A:CYS83 3.3 0.0 1.0
N A:CYS87 3.3 0.0 1.0
CD A:CD202 3.5 0.0 1.0
C A:CYS87 3.7 0.0 1.0
N A:LYS82 3.7 0.0 1.0
CB A:CYS81 3.8 0.0 1.0
CA A:CYS87 3.8 0.0 1.0
HB2 A:LYS85 3.8 0.0 1.0
N A:GLY84 3.8 0.0 1.0
N A:GLY86 3.9 0.0 1.0
CA A:CYS81 3.9 0.0 1.0
N A:LYS85 3.9 0.0 1.0
N A:CYS83 3.9 0.0 1.0
CB A:CYS87 3.9 0.0 1.0
HB2 A:CYS81 4.0 0.0 1.0
C A:CYS81 4.2 0.0 1.0
CB A:CYS76 4.2 0.0 1.0
CB A:CYS83 4.3 0.0 1.0
HB3 A:CYS76 4.3 0.0 1.0
C A:GLY86 4.4 0.0 1.0
HB2 A:CYS76 4.4 0.0 1.0
HB2 A:CYS87 4.5 0.0 1.0
HA2 A:GLY84 4.5 0.0 1.0
CA A:CYS83 4.5 0.0 1.0
CA A:GLY84 4.6 0.0 1.0
CA A:GLY86 4.6 0.0 1.0
C A:LYS82 4.6 0.0 1.0
C A:CYS83 4.6 0.0 1.0
CA A:LYS85 4.7 0.0 1.0
CA A:LYS82 4.7 0.0 1.0
HB2 A:LYS82 4.7 0.0 1.0
C A:GLY84 4.7 0.0 1.0
CB A:LYS85 4.7 0.0 1.0
HB3 A:CYS81 4.7 0.0 1.0
HB3 A:CYS87 4.7 0.0 1.0
C A:LYS85 4.7 0.0 1.0
HA2 A:GLY86 4.8 0.0 1.0
HB3 A:CYS83 4.8 0.0 1.0
N A:THR88 4.8 0.0 1.0
HA A:THR88 4.8 0.0 1.0
HA A:CYS87 4.9 0.0 1.0

Cadmium binding site 3 out of 9 in 5mn3

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Cadmium binding site 3 out of 9 in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd202

b:0.0
occ:1.00
H A:CYS83 2.6 0.0 1.0
SG A:CYS74 2.7 0.0 1.0
SG A:CYS101 2.7 0.0 1.0
SG A:CYS76 2.8 0.0 1.0
HB2 A:CYS101 2.8 0.0 1.0
SG A:CYS83 2.8 0.0 1.0
HB3 A:CYS83 3.0 0.0 1.0
CB A:CYS101 3.2 0.0 1.0
HB2 A:LYS82 3.3 0.0 1.0
H A:LYS75 3.4 0.0 1.0
CB A:CYS83 3.4 0.0 1.0
CD A:CD201 3.5 0.0 1.0
N A:CYS83 3.5 0.0 1.0
HB3 A:CYS101 3.6 0.0 1.0
H A:LYS82 3.7 0.0 1.0
H A:CYS76 3.8 0.0 1.0
HB3 A:CYS74 3.9 0.0 1.0
CB A:CYS74 4.0 0.0 1.0
SG A:CYS87 4.0 0.0 1.0
CA A:CYS83 4.1 0.0 1.0
CB A:LYS82 4.2 0.0 1.0
N A:LYS75 4.2 0.0 1.0
CB A:CYS76 4.2 0.0 1.0
HB3 A:CYS99 4.3 0.0 1.0
H A:CYS101 4.3 0.0 1.0
N A:CYS76 4.3 0.0 1.0
SG A:CYS99 4.3 0.0 1.0
HB2 A:CYS83 4.3 0.0 1.0
HB2 A:LYS75 4.4 0.0 1.0
HB2 A:CYS76 4.4 0.0 1.0
HB3 A:LYS82 4.4 0.0 1.0
N A:LYS82 4.5 0.0 1.0
C A:LYS82 4.6 0.0 1.0
CA A:CYS101 4.6 0.0 1.0
H A:GLY84 4.6 0.0 1.0
CA A:LYS82 4.6 0.0 1.0
HA A:CYS74 4.7 0.0 1.0
HA A:CYS83 4.8 0.0 1.0
HB2 A:CYS74 4.8 0.0 1.0
CA A:CYS76 4.8 0.0 1.0
CA A:CYS74 4.8 0.0 1.0
N A:CYS101 4.8 0.0 1.0
CD A:CD200 4.9 0.0 1.0
CB A:CYS99 4.9 0.0 1.0
C A:LYS75 4.9 0.0 1.0
C A:CYS74 5.0 0.0 1.0

Cadmium binding site 4 out of 9 in 5mn3

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Cadmium binding site 4 out of 9 in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd203

b:0.0
occ:1.00
SG A:CYS47 2.6 0.0 1.0
SG A:CYS65 2.6 0.0 1.0
SG A:CYS43 2.7 0.0 1.0
SG A:CYS61 2.7 0.0 1.0
HB3 A:CYS43 3.2 0.0 1.0
HB3 A:CYS61 3.4 0.0 1.0
CB A:CYS43 3.6 0.0 1.0
CB A:CYS61 3.6 0.0 1.0
HB2 A:CYS65 3.6 0.0 1.0
CB A:CYS65 3.8 0.0 1.0
HB2 A:CYS47 3.8 0.0 1.0
HB2 A:CYS61 3.8 0.0 1.0
CB A:CYS47 3.8 0.0 1.0
HB3 A:CYS47 4.0 0.0 1.0
HB3 A:CYS65 4.1 0.0 1.0
HA A:CYS43 4.3 0.0 1.0
CD A:CD205 4.3 0.0 1.0
HB2 A:CYS43 4.4 0.0 1.0
CD A:CD204 4.4 0.0 1.0
HB2 A:CYS67 4.5 0.0 1.0
CA A:CYS43 4.6 0.0 1.0
HB3 A:CYS67 4.6 0.0 1.0
H A:CYS61 4.7 0.0 1.0
SG A:CYS70 4.8 0.0 1.0

Cadmium binding site 5 out of 9 in 5mn3

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Cadmium binding site 5 out of 9 in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd204

b:0.0
occ:1.00
SG A:CYS70 2.6 0.0 1.0
SG A:CYS52 2.7 0.0 1.0
SG A:CYS67 2.8 0.0 1.0
SG A:CYS47 2.8 0.0 1.0
HB3 A:CYS67 3.1 0.0 1.0
HA A:CYS47 3.2 0.0 1.0
CB A:CYS67 3.4 0.0 1.0
HB3 A:CYS70 3.4 0.0 1.0
HB2 A:SER69 3.6 0.0 1.0
O A:CYS47 3.6 0.0 1.0
HB2 A:CYS52 3.6 0.0 1.0
HB2 A:CYS67 3.7 0.0 1.0
CB A:CYS70 3.7 0.0 1.0
HB2 A:CYS54 3.7 0.0 1.0
CB A:CYS52 3.8 0.0 1.0
CB A:CYS47 3.8 0.0 1.0
H A:CYS70 3.8 0.0 1.0
CA A:CYS47 3.9 0.0 1.0
CD A:CD205 4.0 0.0 1.0
HB2 A:CYS47 4.1 0.0 1.0
HB3 A:CYS52 4.1 0.0 1.0
C A:CYS47 4.2 0.0 1.0
N A:CYS70 4.3 0.0 1.0
SG A:CYS54 4.3 0.0 1.0
CD A:CD203 4.4 0.0 1.0
HB2 A:CYS70 4.5 0.0 1.0
CB A:CYS54 4.5 0.0 1.0
CA A:CYS70 4.6 0.0 1.0
H A:CYS54 4.7 0.0 1.0
CB A:SER69 4.7 0.0 1.0
H A:SER69 4.7 0.0 1.0
HB3 A:CYS47 4.8 0.0 1.0
CA A:CYS67 4.8 0.0 1.0
O A:CYS67 5.0 0.0 1.0

Cadmium binding site 6 out of 9 in 5mn3

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Cadmium binding site 6 out of 9 in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd205

b:0.0
occ:1.00
SG A:CYS70 2.6 0.0 1.0
SG A:CYS59 2.6 0.0 1.0
HB3 A:CYS54 2.7 0.0 1.0
SG A:CYS61 2.7 0.0 1.0
SG A:CYS54 2.7 0.0 1.0
HB2 A:CYS70 2.9 0.0 1.0
CB A:CYS54 3.0 0.0 1.0
HB2 A:CYS54 3.1 0.0 1.0
CB A:CYS70 3.3 0.0 1.0
HA A:CYS59 3.3 0.0 1.0
H A:CYS61 3.4 0.0 1.0
H A:ASN60 3.6 0.0 1.0
HB3 A:CYS70 3.6 0.0 1.0
CB A:CYS59 3.9 0.0 1.0
HB2 A:CYS47 4.0 0.0 1.0
CA A:CYS59 4.0 0.0 1.0
CD A:CD204 4.0 0.0 1.0
N A:ASN60 4.2 0.0 1.0
HB2 A:CYS59 4.2 0.0 1.0
N A:CYS61 4.2 0.0 1.0
CD A:CD203 4.3 0.0 1.0
CB A:CYS61 4.4 0.0 1.0
SG A:CYS47 4.4 0.0 1.0
C A:CYS59 4.5 0.0 1.0
CA A:CYS54 4.5 0.0 1.0
CA A:CYS70 4.7 0.0 1.0
CB A:CYS47 4.7 0.0 1.0
CA A:CYS61 4.7 0.0 1.0
HB3 A:CYS59 4.7 0.0 1.0
HB2 A:CYS61 4.8 0.0 1.0
HA A:CYS54 4.9 0.0 1.0
HA A:CYS47 4.9 0.0 1.0
O A:CYS70 4.9 0.0 1.0
O A:CYS61 4.9 0.0 1.0
C A:CYS61 4.9 0.0 1.0
C A:CYS70 5.0 0.0 1.0

Cadmium binding site 7 out of 9 in 5mn3

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Cadmium binding site 7 out of 9 in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd206

b:0.0
occ:1.00
SG A:CYS32 2.6 0.0 1.0
HB2 A:CYS28 2.6 0.0 1.0
SG A:CYS15 2.6 0.0 1.0
SG A:CYS11 2.7 0.0 1.0
HB3 A:CYS28 2.7 0.0 1.0
SG A:CYS28 2.8 0.0 1.0
CB A:CYS28 2.8 0.0 1.0
HB2 A:CYS32 2.8 0.0 1.0
CB A:CYS32 3.3 0.0 1.0
HB3 A:CYS11 3.4 0.0 1.0
HB2 A:CYS15 3.6 0.0 1.0
CB A:CYS11 3.7 0.0 1.0
CB A:CYS15 3.7 0.0 1.0
HB3 A:CYS32 3.8 0.0 1.0
HB3 A:CYS15 4.0 0.0 1.0
HB2 A:CYS34 4.1 0.0 1.0
CD A:CD208 4.2 0.0 1.0
H A:LYS29 4.2 0.0 1.0
HA A:CYS11 4.2 0.0 1.0
CD A:CD207 4.3 0.0 1.0
CA A:CYS28 4.3 0.0 1.0
H A:THR12 4.3 0.0 1.0
HB2 A:CYS11 4.4 0.0 1.0
HA A:CYS32 4.5 0.0 1.0
CA A:CYS32 4.5 0.0 1.0
SG A:CYS37 4.6 0.0 1.0
HB3 A:CYS34 4.6 0.0 1.0
CA A:CYS11 4.6 0.0 1.0
HA A:CYS28 4.8 0.0 1.0
CB A:CYS34 4.8 0.0 1.0
HG21 A:THR12 4.9 0.0 1.0
H A:CYS34 4.9 0.0 1.0
N A:LYS29 4.9 0.0 1.0
H A:CYS28 5.0 0.0 1.0

Cadmium binding site 8 out of 9 in 5mn3

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Cadmium binding site 8 out of 9 in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd207

b:0.0
occ:1.00
SG A:CYS15 2.6 0.0 1.0
HB3 A:CYS34 2.7 0.0 1.0
SG A:CYS20 2.7 0.0 1.0
SG A:CYS37 2.7 0.0 1.0
SG A:CYS34 2.8 0.0 1.0
HB2 A:SER36 3.1 0.0 1.0
CB A:CYS34 3.1 0.0 1.0
HA A:CYS15 3.2 0.0 1.0
HB2 A:CYS34 3.3 0.0 1.0
O A:CYS15 3.4 0.0 1.0
HB2 A:CYS22 3.6 0.0 1.0
CB A:CYS15 3.8 0.0 1.0
CA A:CYS15 3.8 0.0 1.0
C A:CYS15 4.0 0.0 1.0
CB A:CYS20 4.0 0.0 1.0
H A:CYS37 4.0 0.0 1.0
HB2 A:CYS20 4.1 0.0 1.0
CB A:SER36 4.1 0.0 1.0
HB3 A:CYS20 4.2 0.0 1.0
HB2 A:CYS15 4.2 0.0 1.0
CD A:CD208 4.3 0.0 1.0
CD A:CD206 4.3 0.0 1.0
CB A:CYS37 4.4 0.0 1.0
CB A:CYS22 4.4 0.0 1.0
SG A:CYS22 4.5 0.0 1.0
N A:CYS37 4.5 0.0 1.0
HB3 A:SER36 4.6 0.0 1.0
CA A:CYS34 4.6 0.0 1.0
H A:SER36 4.6 0.0 1.0
HB3 A:CYS15 4.6 0.0 1.0
HB3 A:CYS37 4.6 0.0 1.0
OG A:SER36 4.7 0.0 1.0
SG A:CYS32 4.7 0.0 1.0
HB3 A:CYS22 4.8 0.0 1.0
H A:CYS22 4.8 0.0 1.0
CA A:SER36 5.0 0.0 1.0
C A:CYS34 5.0 0.0 1.0
O A:CYS34 5.0 0.0 1.0

Cadmium binding site 9 out of 9 in 5mn3

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Cadmium binding site 9 out of 9 in the uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of uc(Nmr) Structure of the Littorina Littorea Metallothionein, A Snail Mt Folding Into Three Distinct Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd208

b:0.0
occ:1.00
HB3 A:CYS22 2.2 0.0 1.0
SG A:CYS22 2.6 0.0 1.0
SG A:CYS26 2.7 0.0 1.0
SG A:CYS37 2.7 0.0 1.0
CB A:CYS22 2.7 0.0 1.0
SG A:CYS28 2.8 0.0 1.0
HB2 A:CYS37 2.9 0.0 1.0
HB3 A:CYS26 2.9 0.0 1.0
HA A:CYS26 3.0 0.0 1.0
HB2 A:CYS22 3.0 0.0 1.0
HB3 A:CYS37 3.1 0.0 1.0
CB A:CYS37 3.1 0.0 1.0
CB A:CYS26 3.2 0.0 1.0
CA A:CYS26 3.6 0.0 1.0
H A:ASN27 3.9 0.0 1.0
H A:CYS28 4.0 0.0 1.0
CA A:CYS22 4.1 0.0 1.0
CD A:CD206 4.2 0.0 1.0
HB2 A:CYS15 4.2 0.0 1.0
HB2 A:CYS26 4.2 0.0 1.0
CD A:CD207 4.3 0.0 1.0
CB A:CYS28 4.4 0.0 1.0
HA A:CYS22 4.4 0.0 1.0
HB3 A:CYS28 4.4 0.0 1.0
SG A:CYS15 4.5 0.0 1.0
N A:ASN27 4.6 0.0 1.0
C A:CYS26 4.6 0.0 1.0
O A:CYS22 4.6 0.0 1.0
N A:CYS26 4.6 0.0 1.0
CA A:CYS37 4.7 0.0 1.0
C A:CYS22 4.8 0.0 1.0
HA A:CYS15 4.8 0.0 1.0
N A:CYS28 4.8 0.0 1.0
CB A:CYS15 4.8 0.0 1.0
HG21 A:THR12 4.9 0.0 1.0

Reference:

C.Baumann, A.Beil, S.Jurt, M.Niederwanger, O.Palacios, M.Capdevila, S.Atrian, R.Dallinger, O.Zerbe. Structural Adaptation of A Protein to Increased Metal Stress: uc(Nmr) Structure of A Marine Snail Metallothionein with An Additional Domain. Angew.Chem.Int.Ed.Engl. V. 56 4617 2017.
ISSN: ESSN 1521-3773
PubMed: 28332759
DOI: 10.1002/ANIE.201611873
Page generated: Sat Dec 12 08:27:06 2020

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