Chlorine in PDB 9dpo: Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH
Protein crystallography data
The structure of Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH, PDB code: 9dpo
was solved by
T.A.Schwartze,
A.P.Hinck,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
41.49 /
2.34
|
Space group
|
I 41 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.203,
71.203,
146.515,
90,
90,
90
|
R / Rfree (%)
|
19.9 /
24.5
|
Other elements in 9dpo:
The structure of Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH
(pdb code 9dpo). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH, PDB code: 9dpo:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 9dpo
Go back to
Chlorine Binding Sites List in 9dpo
Chlorine binding site 1 out
of 5 in the Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl501
b:63.7
occ:1.00
|
H
|
A:GLU419
|
2.6
|
44.9
|
1.0
|
HE2
|
A:LYS415
|
2.9
|
57.9
|
1.0
|
HA
|
A:TYR418
|
3.0
|
51.3
|
1.0
|
HD1
|
A:TYR418
|
3.3
|
80.4
|
1.0
|
N
|
A:GLU419
|
3.4
|
37.3
|
1.0
|
HE3
|
A:LYS415
|
3.5
|
57.9
|
1.0
|
HG2
|
A:GLU419
|
3.6
|
53.7
|
1.0
|
CE
|
A:LYS415
|
3.6
|
48.1
|
1.0
|
HB2
|
A:GLU419
|
3.6
|
49.0
|
1.0
|
HZ1
|
A:LYS415
|
3.7
|
101.3
|
1.0
|
CD1
|
A:TYR418
|
3.8
|
66.9
|
1.0
|
O
|
A:HIS417
|
3.8
|
50.0
|
1.0
|
CA
|
A:TYR418
|
3.9
|
42.7
|
1.0
|
C
|
A:TYR418
|
4.1
|
41.8
|
1.0
|
HE1
|
A:TYR418
|
4.1
|
84.5
|
1.0
|
NZ
|
A:LYS415
|
4.2
|
84.3
|
1.0
|
CB
|
A:GLU419
|
4.2
|
40.7
|
1.0
|
CE1
|
A:TYR418
|
4.2
|
70.3
|
1.0
|
CG
|
A:GLU419
|
4.2
|
44.6
|
1.0
|
CA
|
A:GLU419
|
4.4
|
43.9
|
1.0
|
HG3
|
A:GLU419
|
4.4
|
53.7
|
1.0
|
CG
|
A:TYR418
|
4.5
|
37.4
|
1.0
|
HG2
|
A:LYS415
|
4.6
|
52.9
|
1.0
|
HZ2
|
A:LYS415
|
4.7
|
101.3
|
1.0
|
C
|
A:HIS417
|
4.7
|
40.3
|
1.0
|
O
|
A:GLU419
|
4.8
|
38.6
|
1.0
|
CB
|
A:TYR418
|
4.8
|
38.2
|
1.0
|
N
|
A:TYR418
|
4.8
|
38.7
|
1.0
|
HZ3
|
A:LYS415
|
4.8
|
101.3
|
1.0
|
CD
|
A:LYS415
|
4.9
|
53.2
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 9dpo
Go back to
Chlorine Binding Sites List in 9dpo
Chlorine binding site 2 out
of 5 in the Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl502
b:57.8
occ:1.00
|
H
|
A:LYS372
|
2.5
|
38.2
|
1.0
|
HG3
|
A:LYS372
|
2.8
|
54.0
|
1.0
|
HA
|
A:THR371
|
2.9
|
46.5
|
1.0
|
O
|
A:HOH651
|
3.0
|
64.8
|
1.0
|
HB
|
A:THR371
|
3.1
|
46.1
|
1.0
|
O
|
A:HOH643
|
3.3
|
64.2
|
1.0
|
N
|
A:LYS372
|
3.3
|
32.4
|
1.0
|
HG22
|
A:THR371
|
3.5
|
50.0
|
1.0
|
CA
|
A:THR371
|
3.6
|
39.4
|
1.0
|
CB
|
A:THR371
|
3.7
|
39.0
|
1.0
|
CG
|
A:LYS372
|
3.8
|
44.8
|
1.0
|
HB2
|
A:LYS372
|
4.0
|
46.3
|
1.0
|
C
|
A:THR371
|
4.0
|
36.6
|
1.0
|
HE2
|
A:LYS372
|
4.1
|
78.2
|
1.0
|
CG2
|
A:THR371
|
4.1
|
42.2
|
1.0
|
HG2
|
A:LYS372
|
4.2
|
54.0
|
1.0
|
CB
|
A:LYS372
|
4.2
|
38.5
|
1.0
|
CA
|
A:LYS372
|
4.4
|
32.1
|
1.0
|
HG21
|
A:THR371
|
4.6
|
50.0
|
1.0
|
H
|
A:HIS373
|
4.6
|
50.6
|
1.0
|
HZ3
|
A:LYS372
|
4.7
|
122.5
|
1.0
|
CD
|
A:LYS372
|
4.7
|
70.4
|
1.0
|
HD2
|
A:LYS372
|
4.7
|
84.6
|
1.0
|
CE
|
A:LYS372
|
4.8
|
65.1
|
1.0
|
HG23
|
A:THR371
|
4.9
|
50.0
|
1.0
|
O
|
A:PRO370
|
4.9
|
43.8
|
1.0
|
N
|
A:THR371
|
4.9
|
46.1
|
1.0
|
HA
|
A:LYS372
|
5.0
|
37.9
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 9dpo
Go back to
Chlorine Binding Sites List in 9dpo
Chlorine binding site 3 out
of 5 in the Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl503
b:59.6
occ:0.45
|
H
|
A:LEU364
|
2.6
|
67.6
|
1.0
|
HD1
|
A:PHE362
|
2.8
|
56.9
|
1.0
|
HA
|
A:PRO363
|
3.2
|
58.9
|
1.0
|
N
|
A:LEU364
|
3.4
|
56.2
|
1.0
|
HB2
|
A:LEU364
|
3.6
|
73.0
|
1.0
|
CD1
|
A:PHE362
|
3.7
|
47.3
|
1.0
|
HE1
|
A:PHE362
|
3.8
|
44.9
|
1.0
|
HG
|
A:LEU364
|
3.9
|
70.4
|
1.0
|
CA
|
A:PRO363
|
4.0
|
49.7
|
1.0
|
HB2
|
A:PRO363
|
4.0
|
64.8
|
1.0
|
HB3
|
A:PRO363
|
4.1
|
64.8
|
1.0
|
CE1
|
A:PHE362
|
4.1
|
38.0
|
1.0
|
C
|
A:PRO363
|
4.2
|
51.5
|
1.0
|
CB
|
A:LEU364
|
4.2
|
60.7
|
1.0
|
CB
|
A:PRO363
|
4.3
|
53.9
|
1.0
|
HD12
|
A:LEU364
|
4.3
|
71.5
|
1.0
|
CA
|
A:LEU364
|
4.3
|
68.5
|
1.0
|
O
|
A:LEU364
|
4.5
|
83.4
|
1.0
|
CG
|
A:LEU364
|
4.5
|
58.6
|
1.0
|
HB3
|
A:PHE362
|
4.5
|
49.6
|
1.0
|
HA
|
A:PHE362
|
4.7
|
54.1
|
1.0
|
CG
|
A:PHE362
|
4.8
|
39.4
|
1.0
|
C
|
A:LEU364
|
4.8
|
74.3
|
1.0
|
CD1
|
A:LEU364
|
4.9
|
59.5
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 9dpo
Go back to
Chlorine Binding Sites List in 9dpo
Chlorine binding site 4 out
of 5 in the Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl504
b:76.9
occ:1.00
|
H
|
A:HIS417
|
2.1
|
55.0
|
1.0
|
HB2
|
A:HIS417
|
2.8
|
57.0
|
1.0
|
HZ2
|
A:LYS415
|
2.8
|
101.3
|
1.0
|
N
|
A:HIS417
|
2.9
|
45.7
|
1.0
|
HB3
|
A:TYR416
|
3.0
|
71.5
|
1.0
|
HD2
|
A:LYS415
|
3.2
|
64.0
|
1.0
|
O
|
A:HOH624
|
3.2
|
57.3
|
1.0
|
H
|
A:TYR416
|
3.2
|
53.1
|
1.0
|
HE3
|
A:LYS415
|
3.3
|
57.9
|
1.0
|
CB
|
A:HIS417
|
3.6
|
47.4
|
1.0
|
NZ
|
A:LYS415
|
3.6
|
84.3
|
1.0
|
CA
|
A:HIS417
|
3.6
|
41.5
|
1.0
|
N
|
A:TYR416
|
3.6
|
44.8
|
1.0
|
O
|
A:HIS417
|
3.6
|
50.0
|
1.0
|
CE
|
A:LYS415
|
3.7
|
48.1
|
1.0
|
C
|
A:TYR416
|
3.8
|
43.0
|
1.0
|
CB
|
A:TYR416
|
3.8
|
59.5
|
1.0
|
CD
|
A:LYS415
|
3.9
|
53.2
|
1.0
|
C
|
A:HIS417
|
3.9
|
40.3
|
1.0
|
CA
|
A:TYR416
|
3.9
|
44.8
|
1.0
|
HZ3
|
A:LYS415
|
4.0
|
101.3
|
1.0
|
HZ1
|
A:LYS415
|
4.2
|
101.3
|
1.0
|
HB2
|
A:TYR416
|
4.2
|
71.5
|
1.0
|
HB3
|
A:HIS417
|
4.2
|
57.0
|
1.0
|
O
|
A:HOH650
|
4.3
|
66.1
|
1.0
|
HA
|
A:LYS415
|
4.4
|
67.2
|
1.0
|
HG3
|
A:LYS415
|
4.4
|
52.9
|
1.0
|
CG
|
A:HIS417
|
4.4
|
49.2
|
1.0
|
C
|
A:LYS415
|
4.4
|
43.3
|
1.0
|
HD2
|
A:TYR416
|
4.5
|
71.7
|
1.0
|
HA
|
A:HIS417
|
4.5
|
49.5
|
1.0
|
HD3
|
A:LYS415
|
4.6
|
64.0
|
1.0
|
HE2
|
A:LYS415
|
4.6
|
57.9
|
1.0
|
HD2
|
A:HIS417
|
4.7
|
63.3
|
1.0
|
CG
|
A:LYS415
|
4.7
|
43.9
|
1.0
|
CD2
|
A:HIS417
|
4.8
|
52.7
|
1.0
|
CA
|
A:LYS415
|
4.9
|
55.9
|
1.0
|
HA
|
A:TYR416
|
4.9
|
53.5
|
1.0
|
N
|
A:TYR418
|
4.9
|
38.7
|
1.0
|
O
|
A:TYR416
|
5.0
|
42.2
|
1.0
|
CG
|
A:TYR416
|
5.0
|
51.5
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 9dpo
Go back to
Chlorine Binding Sites List in 9dpo
Chlorine binding site 5 out
of 5 in the Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Bmp-9 Wild-Type Dimer with Radiation Damage in Neutral pH within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl505
b:103.5
occ:1.00
|
HE2
|
A:HIS417
|
2.8
|
62.6
|
1.0
|
HE2
|
A:TYR416
|
2.8
|
74.4
|
1.0
|
NA
|
A:NA506
|
2.9
|
47.0
|
1.0
|
NE2
|
A:HIS417
|
3.5
|
52.0
|
1.0
|
CE2
|
A:TYR416
|
3.7
|
61.9
|
1.0
|
HH
|
A:TYR416
|
4.0
|
72.9
|
1.0
|
HD2
|
A:TYR416
|
4.1
|
71.7
|
1.0
|
CD2
|
A:TYR416
|
4.3
|
59.6
|
1.0
|
HD2
|
A:HIS417
|
4.3
|
63.3
|
1.0
|
CD2
|
A:HIS417
|
4.3
|
52.7
|
1.0
|
CE1
|
A:HIS417
|
4.5
|
71.1
|
1.0
|
HE1
|
A:HIS417
|
4.6
|
85.4
|
1.0
|
CZ
|
A:TYR416
|
4.6
|
51.1
|
1.0
|
OH
|
A:TYR416
|
4.7
|
60.6
|
1.0
|
|
Reference:
T.A.Schwartze,
S.A.Morosky,
T.L.Rosato,
A.Henrickson,
G.Lin,
C.S.Hinck,
A.B.Taylor,
S.K.Olsen,
G.Calero,
B.Demeler,
B.L.Roman,
A.P.Hinck.
Molecular Basis of Interchain Disulfide Bond Formation in Bmp-9 and Bmp-10. J.Mol.Biol. V. 437 68935 2025.
ISSN: ESSN 1089-8638
PubMed: 39793884
DOI: 10.1016/J.JMB.2025.168935
Page generated: Sun Jul 13 16:19:04 2025
|