Platinum in PDB 5l3h: Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties
Enzymatic activity of Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties
All present enzymatic activity of Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties:
3.2.1.17;
Protein crystallography data
The structure of Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties, PDB code: 5l3h
was solved by
J.R.Helliwell,
S.W.M.Tanley,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
24.93 /
1.70
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.832,
78.832,
37.021,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.2 /
24.8
|
Other elements in 5l3h:
The structure of Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties also contains other interesting chemical elements:
Platinum Binding Sites:
The binding sites of Platinum atom in the Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties
(pdb code 5l3h). This binding sites where shown within
5.0 Angstroms radius around Platinum atom.
In total 5 binding sites of Platinum where determined in the
Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties, PDB code: 5l3h:
Jump to Platinum binding site number:
1;
2;
3;
4;
5;
Platinum binding site 1 out
of 5 in 5l3h
Go back to
Platinum Binding Sites List in 5l3h
Platinum binding site 1 out
of 5 in the Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties
Mono view
Stereo pair view
|
A full contact list of Platinum with other atoms in the Pt binding
site number 1 of Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Pt203
b:22.3
occ:0.70
|
N
|
A:NH3208
|
2.0
|
19.5
|
0.7
|
N
|
A:NH3207
|
2.0
|
17.1
|
0.7
|
HN2
|
A:NH3208
|
2.2
|
23.4
|
0.7
|
ND1
|
A:HIS15
|
2.3
|
16.7
|
1.0
|
HN1
|
A:NH3207
|
2.3
|
20.5
|
0.7
|
CL
|
A:CL205
|
2.3
|
16.6
|
0.7
|
HN3
|
A:NH3208
|
2.4
|
23.4
|
0.7
|
HN2
|
A:NH3207
|
2.5
|
20.5
|
0.7
|
HN3
|
A:NH3207
|
2.6
|
20.5
|
0.7
|
HN1
|
A:NH3208
|
2.7
|
23.4
|
0.7
|
HA
|
A:HIS15
|
2.8
|
18.2
|
1.0
|
CE1
|
A:HIS15
|
3.2
|
17.1
|
1.0
|
CG
|
A:HIS15
|
3.2
|
15.8
|
1.0
|
HB3
|
A:HIS15
|
3.2
|
17.6
|
1.0
|
HE1
|
A:HIS15
|
3.4
|
20.6
|
1.0
|
CB
|
A:HIS15
|
3.5
|
14.7
|
1.0
|
CA
|
A:HIS15
|
3.5
|
15.2
|
1.0
|
HG23
|
A:THR89
|
3.7
|
17.1
|
1.0
|
O
|
A:HIS15
|
4.0
|
15.1
|
1.0
|
C
|
A:HIS15
|
4.2
|
15.1
|
1.0
|
O
|
A:HOH323
|
4.2
|
16.7
|
1.0
|
NE2
|
A:HIS15
|
4.3
|
16.9
|
1.0
|
CD2
|
A:HIS15
|
4.4
|
15.4
|
1.0
|
HB2
|
A:HIS15
|
4.5
|
17.6
|
1.0
|
HA
|
A:THR89
|
4.5
|
14.8
|
1.0
|
OG1
|
A:THR89
|
4.6
|
14.3
|
1.0
|
CG2
|
A:THR89
|
4.6
|
14.3
|
1.0
|
N
|
A:HIS15
|
4.7
|
14.7
|
1.0
|
O
|
A:ARG14
|
4.7
|
16.6
|
1.0
|
HG11
|
A:VAL92
|
4.8
|
14.0
|
1.0
|
HG21
|
A:THR89
|
4.9
|
17.1
|
1.0
|
HZ2
|
A:LYS96
|
4.9
|
17.2
|
1.0
|
|
Platinum binding site 2 out
of 5 in 5l3h
Go back to
Platinum Binding Sites List in 5l3h
Platinum binding site 2 out
of 5 in the Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties
Mono view
Stereo pair view
|
A full contact list of Platinum with other atoms in the Pt binding
site number 2 of Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Pt204
b:16.4
occ:0.52
|
HH11
|
A:ARG14
|
1.8
|
22.2
|
1.0
|
N
|
A:NH3209
|
2.0
|
13.9
|
0.5
|
HH12
|
A:ARG14
|
2.1
|
22.2
|
1.0
|
NH1
|
A:ARG14
|
2.2
|
18.5
|
1.0
|
CL
|
A:CL206
|
2.3
|
12.9
|
0.5
|
NE2
|
A:HIS15
|
2.4
|
16.9
|
1.0
|
HN1
|
A:NH3209
|
2.4
|
16.7
|
0.5
|
HN2
|
A:NH3209
|
2.5
|
16.7
|
0.5
|
HN3
|
A:NH3209
|
2.5
|
16.7
|
0.5
|
CE1
|
A:HIS15
|
3.3
|
17.1
|
1.0
|
HD3
|
A:ARG14
|
3.4
|
21.7
|
1.0
|
CD2
|
A:HIS15
|
3.4
|
15.4
|
1.0
|
HE1
|
A:HIS15
|
3.4
|
20.6
|
1.0
|
CZ
|
A:ARG14
|
3.5
|
17.8
|
1.0
|
HD2
|
A:HIS15
|
3.5
|
18.4
|
1.0
|
OD1
|
A:ASP87
|
4.1
|
15.6
|
1.0
|
CD
|
A:ARG14
|
4.1
|
18.1
|
1.0
|
HG12
|
A:ILE88
|
4.1
|
15.1
|
1.0
|
HB1
|
A:ALA11
|
4.2
|
16.0
|
1.0
|
NE
|
A:ARG14
|
4.2
|
18.9
|
1.0
|
H
|
A:ILE88
|
4.3
|
15.9
|
1.0
|
O
|
A:HOH373
|
4.3
|
19.1
|
1.0
|
HH22
|
A:ARG14
|
4.3
|
23.3
|
1.0
|
HD2
|
A:ARG14
|
4.4
|
21.7
|
1.0
|
NH2
|
A:ARG14
|
4.4
|
19.4
|
1.0
|
OD2
|
A:ASP87
|
4.4
|
17.9
|
1.0
|
CG
|
A:ASP87
|
4.4
|
16.1
|
1.0
|
ND1
|
A:HIS15
|
4.4
|
16.7
|
1.0
|
HG1
|
A:THR89
|
4.4
|
17.1
|
1.0
|
CG
|
A:HIS15
|
4.5
|
15.8
|
1.0
|
HA
|
A:ASP87
|
4.5
|
16.6
|
1.0
|
HA
|
A:ALA11
|
4.7
|
15.2
|
1.0
|
HB3
|
A:ARG14
|
4.9
|
18.2
|
1.0
|
HG13
|
A:ILE88
|
4.9
|
15.1
|
1.0
|
OG1
|
A:THR89
|
5.0
|
14.3
|
1.0
|
CB
|
A:ALA11
|
5.0
|
13.3
|
1.0
|
CG1
|
A:ILE88
|
5.0
|
12.6
|
1.0
|
HB2
|
A:ALA11
|
5.0
|
16.0
|
1.0
|
|
Platinum binding site 3 out
of 5 in 5l3h
Go back to
Platinum Binding Sites List in 5l3h
Platinum binding site 3 out
of 5 in the Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties
Mono view
Stereo pair view
|
A full contact list of Platinum with other atoms in the Pt binding
site number 3 of Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Pt215
b:18.4
occ:0.15
|
H1
|
A:LYS1
|
1.9
|
11.7
|
1.0
|
H2
|
A:LYS1
|
2.2
|
11.7
|
1.0
|
N
|
A:LYS1
|
2.4
|
9.7
|
1.0
|
HB2
|
A:LYS1
|
2.8
|
13.0
|
1.0
|
H3
|
A:LYS1
|
3.1
|
11.7
|
1.0
|
CA
|
A:LYS1
|
3.2
|
9.9
|
1.0
|
HA
|
A:LYS1
|
3.2
|
11.9
|
1.0
|
HB3
|
A:SER86
|
3.2
|
18.8
|
1.0
|
CB
|
A:LYS1
|
3.4
|
10.8
|
1.0
|
O
|
A:HOH305
|
3.5
|
11.3
|
1.0
|
HE21
|
A:GLN41
|
3.7
|
11.9
|
1.0
|
HB3
|
A:LYS1
|
3.7
|
13.0
|
1.0
|
HG3
|
A:GLN41
|
4.0
|
10.2
|
1.0
|
NE2
|
A:GLN41
|
4.0
|
9.9
|
1.0
|
CB
|
A:SER86
|
4.2
|
15.7
|
1.0
|
OG1
|
A:THR40
|
4.2
|
9.1
|
1.0
|
HG1
|
A:THR40
|
4.2
|
11.0
|
1.0
|
HA
|
A:SER86
|
4.3
|
15.5
|
1.0
|
HE22
|
A:GLN41
|
4.3
|
11.9
|
1.0
|
O
|
A:HOH329
|
4.3
|
9.2
|
1.0
|
CD
|
A:GLN41
|
4.5
|
10.0
|
1.0
|
HB2
|
A:SER86
|
4.5
|
18.8
|
1.0
|
CG
|
A:GLN41
|
4.6
|
8.5
|
1.0
|
C
|
A:LYS1
|
4.6
|
10.8
|
1.0
|
CA
|
A:SER86
|
4.6
|
12.9
|
1.0
|
H
|
A:SER86
|
4.7
|
14.5
|
1.0
|
HG2
|
A:GLN41
|
4.7
|
10.2
|
1.0
|
CG
|
A:LYS1
|
4.8
|
11.9
|
1.0
|
N
|
A:SER86
|
4.8
|
12.1
|
1.0
|
O
|
A:HOH351
|
4.8
|
17.4
|
1.0
|
HG3
|
A:LYS1
|
4.9
|
14.3
|
1.0
|
|
Platinum binding site 4 out
of 5 in 5l3h
Go back to
Platinum Binding Sites List in 5l3h
Platinum binding site 4 out
of 5 in the Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties
Mono view
Stereo pair view
|
A full contact list of Platinum with other atoms in the Pt binding
site number 4 of Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Pt216
b:30.5
occ:0.15
|
HZ3
|
A:LYS96
|
1.5
|
17.2
|
1.0
|
NZ
|
A:LYS96
|
2.3
|
14.4
|
1.0
|
HZ2
|
A:LYS96
|
2.3
|
17.2
|
1.0
|
HZ1
|
A:LYS96
|
2.8
|
17.2
|
1.0
|
HD3
|
A:LYS96
|
3.1
|
14.9
|
1.0
|
CE
|
A:LYS96
|
3.4
|
13.8
|
1.0
|
CD
|
A:LYS96
|
3.5
|
12.4
|
1.0
|
HD2
|
A:LYS96
|
3.5
|
14.9
|
1.0
|
HE2
|
A:LYS96
|
3.7
|
16.6
|
1.0
|
HE3
|
A:LYS96
|
4.1
|
16.6
|
1.0
|
HN1
|
A:NH3208
|
4.2
|
23.4
|
0.7
|
HA3
|
A:GLY16
|
4.4
|
19.1
|
1.0
|
HE1
|
A:TYR20
|
4.4
|
13.7
|
1.0
|
O
|
A:HIS15
|
4.6
|
15.1
|
1.0
|
N
|
A:NH3208
|
4.9
|
19.5
|
0.7
|
CE1
|
A:TYR20
|
5.0
|
11.4
|
1.0
|
HN3
|
A:NH3208
|
5.0
|
23.4
|
0.7
|
|
Platinum binding site 5 out
of 5 in 5l3h
Go back to
Platinum Binding Sites List in 5l3h
Platinum binding site 5 out
of 5 in the Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties
Mono view
Stereo pair view
|
A full contact list of Platinum with other atoms in the Pt binding
site number 5 of Re-Refinement of 4DD4; Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Standard Uncertainties within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Pt217
b:20.7
occ:0.10
|
HZ3
|
A:LYS33
|
2.3
|
15.7
|
1.0
|
HZ1
|
A:LYS33
|
2.3
|
15.7
|
1.0
|
HZ2
|
A:LYS33
|
2.5
|
15.7
|
1.0
|
NZ
|
A:LYS33
|
2.5
|
13.1
|
1.0
|
O
|
A:HOH359
|
3.3
|
13.2
|
1.0
|
OD1
|
A:ASN37
|
3.7
|
12.5
|
1.0
|
CL
|
A:CL211
|
3.7
|
23.4
|
1.0
|
HD21
|
A:ASN37
|
3.8
|
15.3
|
1.0
|
CE
|
A:LYS33
|
4.0
|
12.2
|
1.0
|
HE2
|
A:LYS33
|
4.3
|
14.7
|
1.0
|
ND2
|
A:ASN37
|
4.5
|
12.8
|
1.0
|
HE3
|
A:LYS33
|
4.5
|
14.7
|
1.0
|
CG
|
A:ASN37
|
4.5
|
12.5
|
1.0
|
HD3
|
A:LYS33
|
4.8
|
14.2
|
1.0
|
O
|
A:HOH315
|
4.8
|
13.6
|
1.0
|
HD2
|
A:LYS33
|
4.8
|
14.2
|
1.0
|
CD
|
A:LYS33
|
4.8
|
11.8
|
1.0
|
HD2
|
A:PHE38
|
5.0
|
13.4
|
1.0
|
|
Reference:
J.R.Helliwell,
A.M.M.Schreurs,
L.M.J.Kroon-Batenburg,
S.Tanley.
Cisplatin Coordination Chemistry Determination at Hen Egg White Lysozyme HIS15 with Ligand Distances and Angles, and Their Standard Uncertainties, and Also Reporting A Split Occupancy Effect Arxiv 2016.
DOI: 10.3927/45371856
Page generated: Thu Oct 10 11:37:13 2024
|