Zinc in PDB 2vjf: Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
Protein crystallography data
The structure of Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer, PDB code: 2vjf
was solved by
P.D.Mace,
K.Linke,
C.A.Smith,
C.L.Day,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
25.17 /
2.30
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.216,
41.784,
76.939,
90.00,
109.03,
90.00
|
R / Rfree (%)
|
20.8 /
23.4
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
(pdb code 2vjf). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer, PDB code: 2vjf:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 2vjf
Go back to
Zinc Binding Sites List in 2vjf
Zinc binding site 1 out
of 8 in the Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1492
b:55.0
occ:1.00
|
SG
|
A:CYS438
|
2.2
|
49.1
|
1.0
|
SG
|
A:CYS464
|
2.3
|
55.1
|
1.0
|
SG
|
A:CYS441
|
2.4
|
54.7
|
1.0
|
SG
|
A:CYS461
|
2.4
|
54.3
|
1.0
|
CB
|
A:CYS438
|
3.0
|
50.9
|
1.0
|
CB
|
A:CYS441
|
3.2
|
54.2
|
1.0
|
CB
|
A:CYS464
|
3.2
|
56.5
|
1.0
|
CB
|
A:CYS461
|
3.4
|
53.7
|
1.0
|
N
|
A:CYS441
|
3.6
|
53.6
|
1.0
|
N
|
A:CYS461
|
3.8
|
53.3
|
1.0
|
CA
|
A:CYS441
|
4.0
|
54.0
|
1.0
|
CA
|
A:CYS461
|
4.2
|
53.6
|
1.0
|
NH2
|
A:ARG444
|
4.3
|
61.0
|
1.0
|
N
|
A:CYS464
|
4.4
|
56.6
|
1.0
|
CA
|
A:CYS464
|
4.4
|
56.8
|
1.0
|
CA
|
A:CYS438
|
4.5
|
51.1
|
1.0
|
CB
|
A:ILE440
|
4.5
|
53.2
|
1.0
|
NE
|
A:ARG444
|
4.5
|
59.2
|
1.0
|
C
|
A:ILE440
|
4.6
|
53.5
|
1.0
|
C
|
A:CYS441
|
4.8
|
54.0
|
1.0
|
C
|
A:CYS461
|
4.8
|
54.0
|
1.0
|
CZ
|
A:ARG444
|
4.9
|
60.9
|
1.0
|
CA
|
A:ILE440
|
4.9
|
53.3
|
1.0
|
N
|
A:GLN442
|
4.9
|
54.3
|
1.0
|
C
|
A:CYS438
|
4.9
|
51.5
|
1.0
|
N
|
A:ILE440
|
4.9
|
53.1
|
1.0
|
O
|
A:CYS461
|
4.9
|
54.0
|
1.0
|
CB
|
A:ARG444
|
4.9
|
53.0
|
1.0
|
C
|
A:ALA460
|
5.0
|
53.2
|
1.0
|
|
Zinc binding site 2 out
of 8 in 2vjf
Go back to
Zinc Binding Sites List in 2vjf
Zinc binding site 2 out
of 8 in the Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1493
b:58.2
occ:1.00
|
ND1
|
A:HIS457
|
2.1
|
49.3
|
1.0
|
NE2
|
A:HIS452
|
2.2
|
52.9
|
1.0
|
SG
|
A:CYS475
|
2.3
|
62.8
|
1.0
|
SG
|
A:CYS478
|
2.4
|
61.6
|
1.0
|
CE1
|
A:HIS452
|
3.1
|
51.8
|
1.0
|
CE1
|
A:HIS457
|
3.1
|
49.0
|
1.0
|
CD2
|
A:HIS452
|
3.1
|
52.1
|
1.0
|
CG
|
A:HIS457
|
3.1
|
50.0
|
1.0
|
CB
|
A:CYS475
|
3.2
|
63.8
|
1.0
|
CB
|
A:HIS457
|
3.4
|
51.0
|
1.0
|
CB
|
A:CYS478
|
3.6
|
63.0
|
1.0
|
N
|
A:CYS478
|
3.8
|
63.4
|
1.0
|
ND1
|
A:HIS452
|
4.1
|
52.1
|
1.0
|
CG
|
A:HIS452
|
4.2
|
51.6
|
1.0
|
NE2
|
A:HIS457
|
4.2
|
49.3
|
1.0
|
CD2
|
A:HIS457
|
4.2
|
48.7
|
1.0
|
CA
|
A:CYS478
|
4.3
|
63.3
|
1.0
|
CB
|
A:VAL477
|
4.3
|
63.4
|
1.0
|
N
|
A:HIS457
|
4.6
|
51.2
|
1.0
|
CA
|
A:CYS475
|
4.6
|
63.9
|
1.0
|
CA
|
A:HIS457
|
4.6
|
51.1
|
1.0
|
O
|
A:HOH2008
|
4.7
|
64.5
|
1.0
|
O
|
A:HOH2011
|
4.7
|
67.3
|
1.0
|
CG2
|
A:ILE450
|
4.8
|
47.6
|
1.0
|
C
|
A:VAL477
|
4.8
|
63.4
|
1.0
|
CA
|
A:VAL477
|
4.9
|
63.3
|
1.0
|
C
|
A:CYS478
|
4.9
|
63.7
|
1.0
|
N
|
A:VAL477
|
5.0
|
63.5
|
1.0
|
|
Zinc binding site 3 out
of 8 in 2vjf
Go back to
Zinc Binding Sites List in 2vjf
Zinc binding site 3 out
of 8 in the Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1491
b:52.0
occ:1.00
|
SG
|
B:CYS460
|
2.2
|
44.3
|
1.0
|
SG
|
B:CYS440
|
2.3
|
54.4
|
1.0
|
SG
|
B:CYS437
|
2.3
|
50.6
|
1.0
|
SG
|
B:CYS463
|
2.4
|
48.0
|
1.0
|
CB
|
B:CYS437
|
3.0
|
50.2
|
1.0
|
CB
|
B:CYS463
|
3.2
|
47.0
|
1.0
|
CB
|
B:CYS440
|
3.3
|
54.5
|
1.0
|
CB
|
B:CYS460
|
3.4
|
44.3
|
1.0
|
N
|
B:CYS440
|
3.7
|
54.2
|
1.0
|
N
|
B:CYS460
|
3.8
|
43.9
|
1.0
|
NH2
|
B:ARG443
|
4.0
|
60.1
|
1.0
|
NE
|
B:ARG443
|
4.1
|
59.6
|
1.0
|
CA
|
B:CYS440
|
4.1
|
54.8
|
1.0
|
CA
|
B:CYS460
|
4.2
|
44.1
|
1.0
|
N
|
B:CYS463
|
4.3
|
47.4
|
1.0
|
CA
|
B:CYS463
|
4.3
|
46.8
|
1.0
|
CZ
|
B:ARG443
|
4.5
|
58.8
|
1.0
|
CA
|
B:CYS437
|
4.5
|
50.6
|
1.0
|
CB
|
B:ARG443
|
4.5
|
55.4
|
1.0
|
CB
|
B:LEU439
|
4.5
|
53.4
|
1.0
|
C
|
B:LEU439
|
4.8
|
53.8
|
1.0
|
C
|
B:CYS460
|
4.9
|
44.6
|
1.0
|
N
|
B:GLU441
|
4.9
|
56.0
|
1.0
|
C
|
B:CYS440
|
4.9
|
55.5
|
1.0
|
O
|
B:CYS460
|
5.0
|
45.0
|
1.0
|
C
|
B:THR459
|
5.0
|
43.3
|
1.0
|
N
|
B:LEU439
|
5.0
|
52.9
|
1.0
|
|
Zinc binding site 4 out
of 8 in 2vjf
Go back to
Zinc Binding Sites List in 2vjf
Zinc binding site 4 out
of 8 in the Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1492
b:44.8
occ:1.00
|
NE2
|
B:HIS451
|
2.1
|
44.4
|
1.0
|
SG
|
B:CYS477
|
2.2
|
41.8
|
1.0
|
ND1
|
B:HIS456
|
2.2
|
43.1
|
1.0
|
SG
|
B:CYS474
|
2.3
|
41.1
|
1.0
|
CE1
|
B:HIS451
|
3.0
|
45.0
|
1.0
|
CE1
|
B:HIS456
|
3.1
|
43.1
|
1.0
|
CD2
|
B:HIS451
|
3.1
|
44.5
|
1.0
|
CB
|
B:CYS474
|
3.1
|
41.6
|
1.0
|
CG
|
B:HIS456
|
3.2
|
43.0
|
1.0
|
CB
|
B:CYS477
|
3.6
|
43.4
|
1.0
|
CB
|
B:HIS456
|
3.7
|
43.9
|
1.0
|
N
|
B:CYS477
|
3.8
|
43.4
|
1.0
|
ND1
|
B:HIS451
|
4.1
|
45.0
|
1.0
|
NE2
|
B:HIS456
|
4.2
|
43.1
|
1.0
|
CG
|
B:HIS451
|
4.2
|
45.7
|
1.0
|
CA
|
B:CYS477
|
4.2
|
43.5
|
1.0
|
CD2
|
B:HIS456
|
4.3
|
42.7
|
1.0
|
CB
|
B:ILE476
|
4.4
|
42.7
|
1.0
|
N
|
B:HIS456
|
4.5
|
44.3
|
1.0
|
CA
|
B:CYS474
|
4.6
|
41.6
|
1.0
|
CA
|
B:HIS456
|
4.7
|
44.0
|
1.0
|
C
|
B:ILE476
|
4.7
|
43.2
|
1.0
|
O
|
B:ILE449
|
4.9
|
42.8
|
1.0
|
N
|
B:ILE476
|
4.9
|
42.7
|
1.0
|
CA
|
B:ILE476
|
4.9
|
42.5
|
1.0
|
C
|
B:CYS477
|
5.0
|
43.9
|
1.0
|
CG2
|
B:ILE449
|
5.0
|
42.9
|
1.0
|
|
Zinc binding site 5 out
of 8 in 2vjf
Go back to
Zinc Binding Sites List in 2vjf
Zinc binding site 5 out
of 8 in the Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn1492
b:51.1
occ:1.00
|
SG
|
C:CYS438
|
2.2
|
48.1
|
1.0
|
SG
|
C:CYS461
|
2.3
|
48.7
|
1.0
|
SG
|
C:CYS464
|
2.3
|
49.8
|
1.0
|
SG
|
C:CYS441
|
2.4
|
51.4
|
1.0
|
CB
|
C:CYS438
|
3.0
|
49.7
|
1.0
|
CB
|
C:CYS464
|
3.2
|
49.7
|
1.0
|
CB
|
C:CYS441
|
3.2
|
51.0
|
1.0
|
CB
|
C:CYS461
|
3.5
|
47.3
|
1.0
|
N
|
C:CYS441
|
3.6
|
51.0
|
1.0
|
N
|
C:CYS461
|
3.9
|
47.7
|
1.0
|
CA
|
C:CYS441
|
4.0
|
51.2
|
1.0
|
CA
|
C:CYS461
|
4.2
|
47.6
|
1.0
|
NH2
|
C:ARG444
|
4.2
|
59.9
|
1.0
|
N
|
C:CYS464
|
4.3
|
49.5
|
1.0
|
CA
|
C:CYS464
|
4.4
|
49.8
|
1.0
|
NE
|
C:ARG444
|
4.4
|
59.6
|
1.0
|
CA
|
C:CYS438
|
4.5
|
49.8
|
1.0
|
CB
|
C:ILE440
|
4.5
|
50.5
|
1.0
|
C
|
C:ILE440
|
4.6
|
51.1
|
1.0
|
CZ
|
C:ARG444
|
4.8
|
60.2
|
1.0
|
C
|
C:CYS441
|
4.8
|
51.2
|
1.0
|
CB
|
C:ARG444
|
4.9
|
53.2
|
1.0
|
C
|
C:CYS461
|
4.9
|
47.5
|
1.0
|
O
|
C:CYS461
|
4.9
|
47.6
|
1.0
|
CA
|
C:ILE440
|
4.9
|
50.7
|
1.0
|
C
|
C:CYS438
|
4.9
|
49.8
|
1.0
|
N
|
C:ILE440
|
4.9
|
50.5
|
1.0
|
N
|
C:GLN442
|
5.0
|
51.5
|
1.0
|
|
Zinc binding site 6 out
of 8 in 2vjf
Go back to
Zinc Binding Sites List in 2vjf
Zinc binding site 6 out
of 8 in the Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn1493
b:59.1
occ:1.00
|
ND1
|
C:HIS457
|
2.0
|
47.9
|
1.0
|
NE2
|
C:HIS452
|
2.1
|
46.9
|
1.0
|
SG
|
C:CYS475
|
2.3
|
57.7
|
1.0
|
SG
|
C:CYS478
|
2.5
|
58.9
|
1.0
|
CE1
|
C:HIS457
|
2.9
|
47.2
|
1.0
|
CD2
|
C:HIS452
|
3.0
|
47.4
|
1.0
|
CG
|
C:HIS457
|
3.0
|
48.1
|
1.0
|
CE1
|
C:HIS452
|
3.1
|
46.8
|
1.0
|
CB
|
C:CYS475
|
3.1
|
58.7
|
1.0
|
CB
|
C:HIS457
|
3.5
|
48.9
|
1.0
|
CB
|
C:CYS478
|
3.6
|
58.8
|
1.0
|
N
|
C:CYS478
|
3.9
|
59.0
|
1.0
|
NE2
|
C:HIS457
|
4.0
|
47.4
|
1.0
|
ND1
|
C:HIS452
|
4.1
|
47.2
|
1.0
|
CD2
|
C:HIS457
|
4.1
|
47.6
|
1.0
|
CG
|
C:HIS452
|
4.1
|
47.8
|
1.0
|
CA
|
C:CYS478
|
4.3
|
59.2
|
1.0
|
CB
|
C:VAL477
|
4.4
|
58.5
|
1.0
|
CA
|
C:CYS475
|
4.6
|
58.9
|
1.0
|
N
|
C:HIS457
|
4.6
|
49.4
|
1.0
|
CA
|
C:HIS457
|
4.7
|
49.2
|
1.0
|
CG2
|
C:ILE450
|
4.8
|
44.0
|
1.0
|
O
|
C:HOH2007
|
4.8
|
60.8
|
1.0
|
C
|
C:VAL477
|
4.9
|
58.8
|
1.0
|
OE1
|
C:GLN480
|
4.9
|
61.8
|
1.0
|
C
|
C:CYS478
|
5.0
|
59.5
|
1.0
|
CA
|
C:VAL477
|
5.0
|
58.4
|
1.0
|
|
Zinc binding site 7 out
of 8 in 2vjf
Go back to
Zinc Binding Sites List in 2vjf
Zinc binding site 7 out
of 8 in the Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1491
b:53.5
occ:1.00
|
SG
|
D:CYS460
|
2.3
|
44.4
|
1.0
|
SG
|
D:CYS437
|
2.3
|
50.0
|
1.0
|
SG
|
D:CYS463
|
2.5
|
50.1
|
1.0
|
SG
|
D:CYS440
|
2.5
|
55.1
|
1.0
|
CB
|
D:CYS437
|
3.1
|
49.9
|
1.0
|
CB
|
D:CYS463
|
3.2
|
48.2
|
1.0
|
CB
|
D:CYS440
|
3.3
|
54.8
|
1.0
|
CB
|
D:CYS460
|
3.4
|
45.7
|
1.0
|
N
|
D:CYS440
|
3.7
|
54.7
|
1.0
|
N
|
D:CYS460
|
3.8
|
45.3
|
1.0
|
NH1
|
D:ARG443
|
3.9
|
58.6
|
1.0
|
CA
|
D:CYS440
|
4.1
|
55.3
|
1.0
|
CA
|
D:CYS460
|
4.2
|
45.3
|
1.0
|
N
|
D:CYS463
|
4.2
|
48.8
|
1.0
|
CA
|
D:CYS463
|
4.3
|
48.1
|
1.0
|
CB
|
D:ARG443
|
4.5
|
55.4
|
1.0
|
CB
|
D:LEU439
|
4.5
|
53.6
|
1.0
|
CA
|
D:CYS437
|
4.5
|
50.5
|
1.0
|
CD
|
D:ARG443
|
4.7
|
56.2
|
1.0
|
C
|
D:LEU439
|
4.8
|
54.3
|
1.0
|
C
|
D:CYS460
|
4.8
|
45.7
|
1.0
|
N
|
D:GLU441
|
4.9
|
56.5
|
1.0
|
C
|
D:CYS440
|
4.9
|
56.0
|
1.0
|
CG
|
D:ARG443
|
4.9
|
55.8
|
1.0
|
C
|
D:THR459
|
4.9
|
45.3
|
1.0
|
N
|
D:LEU439
|
5.0
|
53.2
|
1.0
|
CA
|
D:LEU439
|
5.0
|
54.0
|
1.0
|
O
|
D:CYS460
|
5.0
|
45.7
|
1.0
|
|
Zinc binding site 8 out
of 8 in 2vjf
Go back to
Zinc Binding Sites List in 2vjf
Zinc binding site 8 out
of 8 in the Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Crystal Structure of the MDM2-Mdmx Ring Domain Heterodimer within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1492
b:45.9
occ:1.00
|
NE2
|
D:HIS451
|
2.1
|
46.1
|
1.0
|
ND1
|
D:HIS456
|
2.2
|
43.0
|
1.0
|
SG
|
D:CYS477
|
2.2
|
46.4
|
1.0
|
SG
|
D:CYS474
|
2.4
|
43.6
|
1.0
|
CE1
|
D:HIS456
|
3.0
|
41.7
|
1.0
|
CD2
|
D:HIS451
|
3.0
|
45.5
|
1.0
|
CE1
|
D:HIS451
|
3.1
|
46.3
|
1.0
|
CB
|
D:CYS474
|
3.2
|
43.7
|
1.0
|
CG
|
D:HIS456
|
3.2
|
43.0
|
1.0
|
CB
|
D:CYS477
|
3.5
|
47.6
|
1.0
|
CB
|
D:HIS456
|
3.6
|
44.8
|
1.0
|
N
|
D:CYS477
|
3.8
|
47.6
|
1.0
|
ND1
|
D:HIS451
|
4.1
|
46.0
|
1.0
|
NE2
|
D:HIS456
|
4.1
|
42.2
|
1.0
|
CG
|
D:HIS451
|
4.1
|
45.4
|
1.0
|
CA
|
D:CYS477
|
4.2
|
47.9
|
1.0
|
CD2
|
D:HIS456
|
4.3
|
42.4
|
1.0
|
CB
|
D:ILE476
|
4.5
|
46.6
|
1.0
|
O
|
D:HOH2018
|
4.5
|
62.9
|
1.0
|
N
|
D:HIS456
|
4.5
|
45.1
|
1.0
|
CA
|
D:CYS474
|
4.6
|
43.8
|
1.0
|
CA
|
D:HIS456
|
4.7
|
44.9
|
1.0
|
O
|
D:ILE449
|
4.8
|
42.0
|
1.0
|
C
|
D:ILE476
|
4.8
|
47.1
|
1.0
|
C
|
D:CYS477
|
4.9
|
48.9
|
1.0
|
N
|
D:ILE476
|
4.9
|
46.3
|
1.0
|
CA
|
D:ILE476
|
4.9
|
46.5
|
1.0
|
CG2
|
D:ILE449
|
5.0
|
41.1
|
1.0
|
|
Reference:
K.Linke,
P.D.Mace,
C.A.Smith,
D.L.Vaux,
J.Silke,
C.L.Day.
Structure of the MDM2/Mdmx Ring Domain Heterodimer Reveals Dimerization Is Required For Their Ubiquitylation in Trans. Cell Death Differ. V. 15 841 2008.
ISSN: ISSN 1350-9047
PubMed: 18219319
DOI: 10.1038/SJ.CDD.4402309
Page generated: Thu Oct 17 04:19:47 2024
|