Zinc in PDB 4a0c: Structure of the CAND1-CUL4B-RBX1 Complex
Protein crystallography data
The structure of Structure of the CAND1-CUL4B-RBX1 Complex, PDB code: 4a0c
was solved by
A.Scrima,
E.S.Fischer,
M.Faty,
H.Gut,
N.H.Thoma,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.76 /
3.80
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.090,
152.360,
263.010,
90.00,
89.37,
90.00
|
R / Rfree (%)
|
23.8 /
31.9
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Structure of the CAND1-CUL4B-RBX1 Complex
(pdb code 4a0c). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the
Structure of the CAND1-CUL4B-RBX1 Complex, PDB code: 4a0c:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
Zinc binding site 1 out
of 6 in 4a0c
Go back to
Zinc Binding Sites List in 4a0c
Zinc binding site 1 out
of 6 in the Structure of the CAND1-CUL4B-RBX1 Complex
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structure of the CAND1-CUL4B-RBX1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn4001
b:0.2
occ:1.00
|
ND1
|
D:HIS80
|
2.0
|
0.2
|
1.0
|
SG
|
D:CYS42
|
2.0
|
1.0
|
1.0
|
SG
|
D:CYS45
|
2.4
|
0.7
|
1.0
|
SG
|
D:CYS83
|
2.6
|
0.1
|
1.0
|
CE1
|
D:HIS80
|
3.0
|
0.3
|
1.0
|
CB
|
D:CYS42
|
3.0
|
0.2
|
1.0
|
CG
|
D:HIS80
|
3.0
|
0.4
|
1.0
|
CB
|
D:CYS83
|
3.2
|
0.6
|
1.0
|
CB
|
D:CYS45
|
3.4
|
0.7
|
1.0
|
CB
|
D:HIS80
|
3.4
|
0.5
|
1.0
|
N
|
D:CYS45
|
3.9
|
0.4
|
1.0
|
N
|
D:HIS80
|
4.0
|
0.2
|
1.0
|
NE2
|
D:HIS80
|
4.1
|
0.3
|
1.0
|
CB
|
D:CYS53
|
4.1
|
0.4
|
1.0
|
CD2
|
D:HIS80
|
4.1
|
0.3
|
1.0
|
CA
|
D:CYS45
|
4.2
|
0.8
|
1.0
|
CA
|
D:HIS80
|
4.3
|
0.5
|
1.0
|
CA
|
D:CYS42
|
4.4
|
0.3
|
1.0
|
CA
|
D:CYS83
|
4.6
|
0.7
|
1.0
|
O
|
D:CYS42
|
4.7
|
0.3
|
1.0
|
C
|
D:CYS42
|
4.8
|
0.2
|
1.0
|
CB
|
D:ILE44
|
4.8
|
0.6
|
1.0
|
CA
|
D:CYS53
|
4.9
|
0.5
|
1.0
|
C
|
D:ILE44
|
4.9
|
0.0
|
1.0
|
C
|
D:CYS45
|
4.9
|
0.1
|
1.0
|
N
|
D:ARG46
|
5.0
|
0.5
|
1.0
|
N
|
D:CYS83
|
5.0
|
0.9
|
1.0
|
O
|
D:HIS80
|
5.0
|
0.9
|
1.0
|
|
Zinc binding site 2 out
of 6 in 4a0c
Go back to
Zinc Binding Sites List in 4a0c
Zinc binding site 2 out
of 6 in the Structure of the CAND1-CUL4B-RBX1 Complex
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structure of the CAND1-CUL4B-RBX1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn4002
b:92.5
occ:1.00
|
ND1
|
D:HIS77
|
2.1
|
0.1
|
1.0
|
SG
|
D:CYS75
|
2.4
|
0.9
|
1.0
|
SG
|
D:CYS94
|
2.6
|
0.2
|
1.0
|
OD1
|
D:ASP97
|
2.8
|
0.1
|
1.0
|
CE1
|
D:HIS77
|
2.9
|
0.2
|
1.0
|
OD2
|
D:ASP97
|
3.0
|
0.3
|
1.0
|
CB
|
D:CYS75
|
3.0
|
0.0
|
1.0
|
CG
|
D:ASP97
|
3.1
|
0.3
|
1.0
|
CG
|
D:HIS77
|
3.2
|
0.9
|
1.0
|
CB
|
D:HIS77
|
3.7
|
0.9
|
1.0
|
CB
|
D:CYS94
|
3.9
|
1.0
|
1.0
|
NE2
|
D:HIS77
|
4.1
|
0.1
|
1.0
|
CD2
|
D:HIS77
|
4.3
|
0.0
|
1.0
|
CA
|
D:CYS75
|
4.4
|
0.0
|
1.0
|
O
|
D:CYS75
|
4.4
|
0.6
|
1.0
|
CB
|
D:ASP97
|
4.4
|
0.3
|
1.0
|
C
|
D:CYS75
|
4.5
|
0.6
|
1.0
|
CB
|
D:LEU96
|
4.6
|
0.6
|
1.0
|
N
|
D:HIS77
|
4.7
|
0.4
|
1.0
|
N
|
D:ASP97
|
4.7
|
0.1
|
1.0
|
C
|
D:LEU96
|
4.7
|
0.8
|
1.0
|
CA
|
D:HIS77
|
4.8
|
0.9
|
1.0
|
CA
|
D:LEU96
|
5.0
|
0.6
|
1.0
|
|
Zinc binding site 3 out
of 6 in 4a0c
Go back to
Zinc Binding Sites List in 4a0c
Zinc binding site 3 out
of 6 in the Structure of the CAND1-CUL4B-RBX1 Complex
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Structure of the CAND1-CUL4B-RBX1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn4003
b:0.9
occ:1.00
|
SG
|
D:CYS56
|
2.3
|
0.0
|
1.0
|
SG
|
D:CYS53
|
2.6
|
0.1
|
1.0
|
SG
|
D:CYS68
|
2.8
|
0.8
|
1.0
|
CG
|
D:HIS82
|
3.1
|
0.1
|
1.0
|
CD2
|
D:HIS82
|
3.1
|
0.8
|
1.0
|
CB
|
D:HIS82
|
3.5
|
0.4
|
1.0
|
CB
|
D:CYS56
|
3.5
|
0.0
|
1.0
|
ND1
|
D:HIS82
|
3.6
|
0.0
|
1.0
|
CB
|
D:CYS68
|
3.6
|
0.2
|
1.0
|
NE2
|
D:HIS82
|
3.6
|
0.7
|
1.0
|
CE1
|
D:HIS82
|
3.9
|
0.9
|
1.0
|
CB
|
D:CYS53
|
3.9
|
0.4
|
1.0
|
N
|
D:CYS53
|
4.4
|
0.3
|
1.0
|
O
|
D:GLU55
|
4.4
|
0.5
|
1.0
|
C
|
D:GLU55
|
4.5
|
0.4
|
1.0
|
N
|
D:CYS56
|
4.5
|
0.7
|
1.0
|
CA
|
D:CYS56
|
4.6
|
0.0
|
1.0
|
CA
|
D:CYS68
|
4.6
|
0.1
|
1.0
|
CA
|
D:CYS53
|
4.7
|
0.5
|
1.0
|
CA
|
D:HIS82
|
4.9
|
0.5
|
1.0
|
|
Zinc binding site 4 out
of 6 in 4a0c
Go back to
Zinc Binding Sites List in 4a0c
Zinc binding site 4 out
of 6 in the Structure of the CAND1-CUL4B-RBX1 Complex
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Structure of the CAND1-CUL4B-RBX1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn4001
b:0.1
occ:1.00
|
SG
|
F:CYS45
|
1.7
|
0.9
|
1.0
|
SG
|
F:CYS42
|
2.4
|
0.5
|
1.0
|
ND1
|
F:HIS80
|
2.5
|
0.1
|
1.0
|
CG
|
F:HIS80
|
3.0
|
0.3
|
1.0
|
CB
|
F:HIS80
|
3.1
|
0.4
|
1.0
|
CB
|
F:CYS42
|
3.2
|
0.7
|
1.0
|
CB
|
F:CYS45
|
3.2
|
0.8
|
1.0
|
CE1
|
F:HIS80
|
3.5
|
0.1
|
1.0
|
SG
|
F:CYS83
|
3.5
|
0.9
|
1.0
|
N
|
F:CYS45
|
3.8
|
0.3
|
1.0
|
CB
|
F:CYS83
|
3.8
|
0.8
|
1.0
|
CB
|
F:CYS53
|
3.9
|
0.7
|
1.0
|
N
|
F:HIS80
|
3.9
|
0.8
|
1.0
|
CA
|
F:CYS45
|
4.0
|
0.8
|
1.0
|
CD2
|
F:HIS80
|
4.1
|
0.2
|
1.0
|
CA
|
F:HIS80
|
4.1
|
0.5
|
1.0
|
NE2
|
F:HIS80
|
4.3
|
0.0
|
1.0
|
CA
|
F:CYS42
|
4.7
|
0.8
|
1.0
|
C
|
F:CYS45
|
4.7
|
0.1
|
1.0
|
O
|
F:LEU52
|
4.8
|
0.5
|
1.0
|
CA
|
F:CYS53
|
4.8
|
0.7
|
1.0
|
N
|
F:ARG46
|
4.8
|
0.5
|
1.0
|
O
|
F:HIS80
|
4.9
|
0.1
|
1.0
|
C
|
F:ILE44
|
5.0
|
0.7
|
1.0
|
C
|
F:HIS80
|
5.0
|
1.0
|
1.0
|
|
Zinc binding site 5 out
of 6 in 4a0c
Go back to
Zinc Binding Sites List in 4a0c
Zinc binding site 5 out
of 6 in the Structure of the CAND1-CUL4B-RBX1 Complex
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Structure of the CAND1-CUL4B-RBX1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn4002
b:0.2
occ:1.00
|
SG
|
F:CYS75
|
2.1
|
0.8
|
1.0
|
SG
|
F:CYS94
|
2.4
|
0.7
|
1.0
|
ND1
|
F:HIS77
|
2.7
|
0.3
|
1.0
|
CB
|
F:CYS94
|
2.9
|
0.8
|
1.0
|
CB
|
F:ASP97
|
3.0
|
0.7
|
1.0
|
OD2
|
F:ASP97
|
3.1
|
0.6
|
1.0
|
CB
|
F:CYS75
|
3.2
|
0.5
|
1.0
|
CE1
|
F:HIS77
|
3.3
|
0.3
|
1.0
|
N
|
F:ASP97
|
3.3
|
0.7
|
1.0
|
CG
|
F:ASP97
|
3.5
|
0.8
|
1.0
|
CG
|
F:HIS77
|
3.6
|
0.1
|
1.0
|
CA
|
F:ASP97
|
3.8
|
0.7
|
1.0
|
CB
|
F:HIS77
|
4.1
|
0.0
|
1.0
|
CA
|
F:CYS94
|
4.3
|
0.7
|
1.0
|
NE2
|
F:HIS77
|
4.4
|
0.2
|
1.0
|
C
|
F:LEU96
|
4.4
|
0.7
|
1.0
|
CZ3
|
F:TRP101
|
4.5
|
0.6
|
1.0
|
CB
|
F:LEU96
|
4.5
|
0.7
|
1.0
|
CD2
|
F:HIS77
|
4.5
|
0.1
|
1.0
|
N
|
F:LEU96
|
4.6
|
0.9
|
1.0
|
CA
|
F:CYS75
|
4.6
|
0.5
|
1.0
|
OD1
|
F:ASP97
|
4.7
|
0.0
|
1.0
|
C
|
F:CYS94
|
4.7
|
0.5
|
1.0
|
C
|
F:ASP97
|
4.7
|
0.7
|
1.0
|
CA
|
F:LEU96
|
4.7
|
0.7
|
1.0
|
CE3
|
F:TRP101
|
4.8
|
0.8
|
1.0
|
C
|
F:CYS75
|
4.9
|
0.6
|
1.0
|
O
|
F:CYS94
|
4.9
|
0.5
|
1.0
|
N
|
F:HIS77
|
4.9
|
1.0
|
1.0
|
|
Zinc binding site 6 out
of 6 in 4a0c
Go back to
Zinc Binding Sites List in 4a0c
Zinc binding site 6 out
of 6 in the Structure of the CAND1-CUL4B-RBX1 Complex
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Structure of the CAND1-CUL4B-RBX1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn4003
b:0.1
occ:1.00
|
SG
|
F:CYS68
|
2.5
|
0.9
|
1.0
|
SG
|
F:CYS56
|
2.5
|
0.1
|
1.0
|
SG
|
F:CYS53
|
2.7
|
0.9
|
1.0
|
CB
|
F:CYS56
|
3.0
|
0.2
|
1.0
|
CD2
|
F:HIS82
|
3.1
|
0.3
|
1.0
|
CB
|
F:CYS68
|
3.2
|
0.1
|
1.0
|
NE2
|
F:HIS82
|
3.5
|
0.6
|
1.0
|
CG
|
F:HIS82
|
3.6
|
0.9
|
1.0
|
CA
|
F:CYS68
|
3.9
|
0.1
|
1.0
|
N
|
F:CYS53
|
4.0
|
0.1
|
1.0
|
CB
|
F:CYS53
|
4.1
|
0.7
|
1.0
|
CE1
|
F:HIS82
|
4.2
|
0.6
|
1.0
|
ND1
|
F:HIS82
|
4.2
|
0.4
|
1.0
|
CB
|
F:HIS82
|
4.2
|
0.4
|
1.0
|
CA
|
F:CYS56
|
4.4
|
0.2
|
1.0
|
C
|
F:LEU52
|
4.5
|
0.6
|
1.0
|
CA
|
F:LEU52
|
4.5
|
0.2
|
1.0
|
CA
|
F:CYS53
|
4.6
|
0.7
|
1.0
|
CD2
|
F:HIS80
|
4.7
|
0.2
|
1.0
|
O
|
F:GLU55
|
4.7
|
0.1
|
1.0
|
N
|
F:CYS56
|
4.9
|
0.2
|
1.0
|
N
|
F:CYS68
|
4.9
|
0.2
|
1.0
|
C
|
F:CYS68
|
5.0
|
0.0
|
1.0
|
|
Reference:
A.Scrima,
E.S.Fischer,
S.Iwai,
H.Gut,
N.H.Thoma.
The Molecular Basis of CRL4(DDB2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation Cell(Cambridge,Mass.) V. 147 1024 2011.
ISSN: ISSN 0092-8674
PubMed: 22118460
DOI: 10.1016/J.CELL.2011.10.035
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