Iron in PDB 1kqj: Crystal Structure of A Mutant of Muty Catalytic Domain
Protein crystallography data
The structure of Crystal Structure of A Mutant of Muty Catalytic Domain, PDB code: 1kqj
was solved by
T.E.Messick,
N.H.Chmiel,
M.P.Golinelli,
S.S.David,
L.Joshua-Tor,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.65 /
1.70
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
83.550,
49.900,
71.010,
90.00,
122.56,
90.00
|
R / Rfree (%)
|
19.1 /
20.8
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of A Mutant of Muty Catalytic Domain
(pdb code 1kqj). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Crystal Structure of A Mutant of Muty Catalytic Domain, PDB code: 1kqj:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 1kqj
Go back to
Iron Binding Sites List in 1kqj
Iron binding site 1 out
of 4 in the Crystal Structure of A Mutant of Muty Catalytic Domain
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of A Mutant of Muty Catalytic Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe300
b:9.0
occ:1.00
|
FE1
|
A:SF4300
|
0.0
|
9.0
|
1.0
|
S2
|
A:SF4300
|
2.1
|
9.0
|
1.0
|
S4
|
A:SF4300
|
2.3
|
10.4
|
1.0
|
S3
|
A:SF4300
|
2.3
|
8.9
|
1.0
|
SG
|
A:CYS202
|
2.4
|
8.7
|
1.0
|
FE4
|
A:SF4300
|
2.7
|
9.9
|
1.0
|
FE3
|
A:SF4300
|
2.7
|
8.3
|
0.6
|
FE2
|
A:SF4300
|
2.7
|
9.2
|
1.0
|
CB
|
A:CYS202
|
3.1
|
7.6
|
1.0
|
S1
|
A:SF4300
|
3.8
|
10.0
|
1.0
|
CB
|
A:LEU204
|
4.6
|
10.8
|
1.0
|
CA
|
A:CYS202
|
4.6
|
8.7
|
1.0
|
N
|
A:GLN205
|
4.8
|
11.8
|
1.0
|
ND1
|
A:HIS199
|
4.8
|
15.0
|
1.0
|
SG
|
A:CYS192
|
4.8
|
9.5
|
1.0
|
CB
|
A:CYS192
|
4.8
|
9.7
|
1.0
|
SG
|
A:CYS208
|
4.9
|
9.2
|
1.0
|
C
|
A:LEU204
|
4.9
|
11.6
|
1.0
|
CA
|
A:HIS199
|
4.9
|
10.1
|
1.0
|
|
Iron binding site 2 out
of 4 in 1kqj
Go back to
Iron Binding Sites List in 1kqj
Iron binding site 2 out
of 4 in the Crystal Structure of A Mutant of Muty Catalytic Domain
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of A Mutant of Muty Catalytic Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe300
b:9.2
occ:1.00
|
FE2
|
A:SF4300
|
0.0
|
9.2
|
1.0
|
S1
|
A:SF4300
|
2.1
|
10.0
|
1.0
|
S4
|
A:SF4300
|
2.3
|
10.4
|
1.0
|
S3
|
A:SF4300
|
2.3
|
8.9
|
1.0
|
SG
|
A:CYS192
|
2.4
|
9.5
|
1.0
|
FE4
|
A:SF4300
|
2.7
|
9.9
|
1.0
|
FE1
|
A:SF4300
|
2.7
|
9.0
|
1.0
|
FE3
|
A:SF4300
|
2.8
|
8.3
|
0.6
|
CB
|
A:CYS192
|
3.3
|
9.7
|
1.0
|
S2
|
A:SF4300
|
3.8
|
9.0
|
1.0
|
CA
|
A:CYS192
|
4.0
|
10.5
|
1.0
|
CD
|
A:ARG147
|
4.2
|
10.0
|
1.0
|
CB
|
A:ARG147
|
4.5
|
8.8
|
1.0
|
CB
|
A:PRO197
|
4.6
|
15.4
|
1.0
|
NH2
|
A:ARG147
|
4.6
|
14.4
|
1.0
|
ND1
|
A:HIS199
|
4.7
|
15.0
|
1.0
|
SG
|
A:CYS202
|
4.8
|
8.7
|
1.0
|
SG
|
A:CYS208
|
4.9
|
9.2
|
1.0
|
CG
|
A:ARG147
|
5.0
|
9.6
|
1.0
|
N
|
A:CYS192
|
5.0
|
10.8
|
1.0
|
|
Iron binding site 3 out
of 4 in 1kqj
Go back to
Iron Binding Sites List in 1kqj
Iron binding site 3 out
of 4 in the Crystal Structure of A Mutant of Muty Catalytic Domain
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of A Mutant of Muty Catalytic Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe300
b:8.3
occ:0.60
|
FE3
|
A:SF4300
|
0.0
|
8.3
|
0.6
|
ND1
|
A:HIS199
|
2.2
|
15.0
|
1.0
|
S2
|
A:SF4300
|
2.3
|
9.0
|
1.0
|
S1
|
A:SF4300
|
2.3
|
10.0
|
1.0
|
S4
|
A:SF4300
|
2.3
|
10.4
|
1.0
|
FE4
|
A:SF4300
|
2.7
|
9.9
|
1.0
|
FE1
|
A:SF4300
|
2.7
|
9.0
|
1.0
|
FE2
|
A:SF4300
|
2.8
|
9.2
|
1.0
|
CE1
|
A:HIS199
|
3.0
|
16.1
|
1.0
|
CG
|
A:HIS199
|
3.3
|
13.8
|
1.0
|
CA
|
A:HIS199
|
3.8
|
10.1
|
1.0
|
CB
|
A:HIS199
|
3.8
|
10.8
|
1.0
|
S3
|
A:SF4300
|
3.9
|
8.9
|
1.0
|
NE2
|
A:HIS199
|
4.2
|
17.1
|
1.0
|
N
|
A:HIS199
|
4.3
|
9.7
|
1.0
|
CD2
|
A:HIS199
|
4.4
|
14.6
|
1.0
|
CB
|
A:ALA211
|
4.5
|
14.7
|
1.0
|
CB
|
A:PRO197
|
4.5
|
15.4
|
1.0
|
SG
|
A:CYS208
|
4.7
|
9.2
|
1.0
|
CG
|
A:PRO197
|
4.8
|
15.5
|
1.0
|
CB
|
A:CYS202
|
4.8
|
7.6
|
1.0
|
SG
|
A:CYS202
|
4.9
|
8.7
|
1.0
|
SG
|
A:CYS192
|
5.0
|
9.5
|
1.0
|
|
Iron binding site 4 out
of 4 in 1kqj
Go back to
Iron Binding Sites List in 1kqj
Iron binding site 4 out
of 4 in the Crystal Structure of A Mutant of Muty Catalytic Domain
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of A Mutant of Muty Catalytic Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe300
b:9.9
occ:1.00
|
FE4
|
A:SF4300
|
0.0
|
9.9
|
1.0
|
S2
|
A:SF4300
|
2.3
|
9.0
|
1.0
|
S1
|
A:SF4300
|
2.3
|
10.0
|
1.0
|
S3
|
A:SF4300
|
2.4
|
8.9
|
1.0
|
SG
|
A:CYS208
|
2.4
|
9.2
|
1.0
|
FE3
|
A:SF4300
|
2.7
|
8.3
|
0.6
|
FE1
|
A:SF4300
|
2.7
|
9.0
|
1.0
|
FE2
|
A:SF4300
|
2.7
|
9.2
|
1.0
|
CB
|
A:CYS208
|
3.2
|
9.2
|
1.0
|
S4
|
A:SF4300
|
3.8
|
10.4
|
1.0
|
CB
|
A:ALA211
|
4.4
|
14.7
|
1.0
|
ND1
|
A:HIS199
|
4.4
|
15.0
|
1.0
|
CB
|
A:ARG147
|
4.6
|
8.8
|
1.0
|
N
|
A:ALA211
|
4.6
|
13.3
|
1.0
|
CA
|
A:CYS208
|
4.7
|
11.0
|
1.0
|
N
|
A:CYS148
|
4.9
|
9.5
|
1.0
|
CE1
|
A:HIS199
|
4.9
|
16.1
|
1.0
|
SG
|
A:CYS202
|
4.9
|
8.7
|
1.0
|
CB
|
A:ALA210
|
4.9
|
11.1
|
1.0
|
CA
|
A:CYS148
|
5.0
|
11.3
|
1.0
|
SG
|
A:CYS192
|
5.0
|
9.5
|
1.0
|
|
Reference:
T.E.Messick,
N.H.Chmiel,
M.P.Golinelli,
M.R.Langer,
L.Joshua-Tor,
S.S.David.
Noncysteinyl Coordination to the [4FE-4S]2+ Cluster of the Dna Repair Adenine Glycosylase Muty Introduced Via Site-Directed Mutagenesis. Structural Characterization of An Unusual Histidinyl-Coordinated Cluster. Biochemistry V. 41 3931 2002.
ISSN: ISSN 0006-2960
PubMed: 11900536
DOI: 10.1021/BI012035X
Page generated: Sat Aug 3 09:29:22 2024
|