Iron in PDB 8wm2: Crystal Structure of Abmm

Protein crystallography data

The structure of Crystal Structure of Abmm, PDB code: 8wm2 was solved by R.Ushimaru, T.Mori, I.Abe, H.-W.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.24 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.79, 81.026, 131.842, 90, 90, 90
R / Rfree (%) 22.9 / 27.9

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Abmm (pdb code 8wm2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Abmm, PDB code: 8wm2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 8wm2

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Iron binding site 1 out of 8 in the Crystal Structure of Abmm


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 Abmm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:39.0
occ:1.00
 FE1 A:SF4401 0.0 39.0 1.0
S3 A:SF4401 2.1 32.5 1.0
S2 A:SF4401 2.1 34.8 1.0
S4 A:SF4401 2.1 38.3 1.0
SG A:CYS267 2.3 41.9 1.0
FE2 A:SF4401 3.0 43.7 1.0
FE3 A:SF4401 3.0 41.9 1.0
FE4 A:SF4401 3.0 41.8 1.0
CB A:CYS267 3.0 36.1 1.0
CA A:CYS267 3.4 35.3 1.0
S1 A:SF4401 3.7 30.8 1.0
N A:CYS267 3.8 38.0 1.0
CB A:PRO262 4.1 42.5 1.0
O A:ASP322 4.2 41.4 1.0
NH2 A:ARG266 4.2 36.6 1.0
C A:ARG266 4.4 40.5 1.0
CG A:PRO262 4.7 43.3 1.0
CZ A:ARG266 4.7 43.0 1.0
CB A:CYS270 4.8 30.6 1.0
C A:CYS267 4.8 39.0 1.0
O A:ARG266 4.9 46.1 1.0
CB A:ARG266 4.9 41.3 1.0
SG A:CYS270 4.9 38.4 1.0
SG A:CYS276 5.0 43.1 1.0
NE A:ARG266 5.0 45.0 1.0

Iron binding site 2 out of 8 in 8wm2

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Iron binding site 2 out of 8 in the Crystal Structure of Abmm


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 Abmm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:43.7
occ:1.00
 FE2 A:SF4401 0.0 43.7 1.0
S1 A:SF4401 2.1 30.8 1.0
S4 A:SF4401 2.1 38.3 1.0
S3 A:SF4401 2.1 32.5 1.0
SG A:CYS276 2.3 43.1 1.0
CB A:CYS276 2.9 39.6 1.0
FE3 A:SF4401 3.0 41.9 1.0
FE1 A:SF4401 3.0 39.0 1.0
FE4 A:SF4401 3.0 41.8 1.0
S2 A:SF4401 3.7 34.8 1.0
CB A:PRO262 4.0 42.5 1.0
O A:HOH534 4.2 40.3 1.0
CG A:PRO262 4.2 43.3 1.0
CA A:CYS276 4.3 37.5 1.0
CB A:ALA296 4.8 40.1 1.0
SG A:CYS267 4.8 41.9 1.0
CB A:CYS294 5.0 33.4 1.0

Iron binding site 3 out of 8 in 8wm2

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Iron binding site 3 out of 8 in the Crystal Structure of Abmm


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 Abmm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:41.9
occ:1.00
 FE3 A:SF4401 0.0 41.9 1.0
S4 A:SF4401 2.1 38.3 1.0
S1 A:SF4401 2.1 30.8 1.0
S2 A:SF4401 2.1 34.8 1.0
SG A:CYS294 2.3 43.3 1.0
FE2 A:SF4401 3.0 43.7 1.0
CB A:CYS294 3.0 33.4 1.0
FE1 A:SF4401 3.0 39.0 1.0
FE4 A:SF4401 3.0 41.8 1.0
NH2 A:ARG266 3.6 36.6 1.0
S3 A:SF4401 3.7 32.5 1.0
CZ A:ARG266 4.1 43.0 1.0
NH1 A:ARG266 4.1 40.3 1.0
CG2 A:THR297 4.2 40.1 1.0
CA A:CYS294 4.3 39.3 1.0
CD1 A:TRP300 4.8 40.4 1.0
SG A:CYS276 5.0 43.1 1.0
NE A:ARG266 5.0 45.0 1.0
O A:ASP322 5.0 41.4 1.0

Iron binding site 4 out of 8 in 8wm2

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Iron binding site 4 out of 8 in the Crystal Structure of Abmm


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 Abmm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:41.8
occ:1.00
 FE4 A:SF4401 0.0 41.8 1.0
S2 A:SF4401 2.1 34.8 1.0
S1 A:SF4401 2.1 30.8 1.0
S3 A:SF4401 2.1 32.5 1.0
SG A:CYS270 2.3 38.4 1.0
FE1 A:SF4401 3.0 39.0 1.0
FE3 A:SF4401 3.0 41.9 1.0
FE2 A:SF4401 3.0 43.7 1.0
CB A:CYS270 3.1 30.6 1.0
S4 A:SF4401 3.7 38.3 1.0
CG2 A:THR297 4.1 40.1 1.0
O A:HOH536 4.2 32.2 1.0
CA A:CYS270 4.6 37.8 1.0
CB A:THR297 4.6 41.5 1.0
N A:ALA273 4.6 36.7 1.0
C A:ASP272 4.7 35.4 1.0
CA A:CYS267 4.7 35.3 1.0
CA A:ALA273 4.7 38.1 1.0
O A:ASP272 4.9 39.2 1.0
CB A:CYS276 5.0 39.6 1.0

Iron binding site 5 out of 8 in 8wm2

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Iron binding site 5 out of 8 in the Crystal Structure of Abmm


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Abmm within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:60.4
occ:1.00
 FE1 B:SF4401 0.0 60.4 1.0
S2 B:SF4401 2.1 55.0 1.0
S4 B:SF4401 2.1 49.2 1.0
S3 B:SF4401 2.1 56.0 1.0
SG B:CYS270 2.3 60.5 1.0
FE4 B:SF4401 3.0 57.5 1.0
FE3 B:SF4401 3.0 59.2 1.0
FE2 B:SF4401 3.0 52.9 1.0
CB B:CYS270 3.1 65.8 1.0
S1 B:SF4401 3.7 47.5 1.0
CG2 B:THR297 3.9 45.2 1.0
CB B:THR297 4.3 52.6 1.0
CA B:ALA273 4.5 60.1 1.0
N B:ALA273 4.5 65.4 1.0
CA B:CYS270 4.5 65.2 1.0
CB B:ALA273 4.7 56.5 1.0
C B:ASP272 4.8 64.7 1.0
CA B:CYS267 4.9 62.3 1.0
O B:ASP272 5.0 63.9 1.0

Iron binding site 6 out of 8 in 8wm2

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Iron binding site 6 out of 8 in the Crystal Structure of Abmm


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Abmm within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:52.9
occ:1.00
 FE2 B:SF4401 0.0 52.9 1.0
S1 B:SF4401 2.1 47.5 1.0
S4 B:SF4401 2.1 49.2 1.0
S3 B:SF4401 2.1 56.0 1.0
SG B:CYS276 2.3 55.9 1.0
CB B:CYS276 3.0 54.8 1.0
FE3 B:SF4401 3.0 59.2 1.0
FE4 B:SF4401 3.0 57.5 1.0
FE1 B:SF4401 3.0 60.4 1.0
S2 B:SF4401 3.7 55.0 1.0
CG B:PRO262 4.0 56.2 1.0
CB B:PRO262 4.1 55.2 1.0
CA B:CYS276 4.3 66.6 1.0
CB B:ALA296 4.6 56.3 1.0
SG B:CYS267 4.8 63.9 1.0
O B:HOH503 4.9 57.3 1.0
CA B:ALA273 4.9 60.1 1.0

Iron binding site 7 out of 8 in 8wm2

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Iron binding site 7 out of 8 in the Crystal Structure of Abmm


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Abmm within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:59.2
occ:1.00
 FE3 B:SF4401 0.0 59.2 1.0
S1 B:SF4401 2.1 47.5 1.0
S4 B:SF4401 2.1 49.2 1.0
S2 B:SF4401 2.1 55.0 1.0
SG B:CYS267 2.3 63.9 1.0
FE2 B:SF4401 3.0 52.9 1.0
FE1 B:SF4401 3.0 60.4 1.0
FE4 B:SF4401 3.0 57.5 1.0
CB B:CYS267 3.4 61.7 1.0
CA B:CYS267 3.7 62.3 1.0
S3 B:SF4401 3.7 56.0 1.0
O B:ASP322 4.0 57.4 1.0
N B:CYS267 4.1 64.0 1.0
CB B:PRO262 4.2 55.2 1.0
NH1 B:ARG266 4.3 55.7 1.0
CB B:CYS270 4.6 65.8 1.0
CG B:ARG266 4.7 60.3 1.0
CG B:PRO262 4.7 56.2 1.0
C B:ARG266 4.8 66.8 1.0
CZ B:ARG266 4.8 60.2 1.0
SG B:CYS270 4.9 60.5 1.0
SG B:CYS294 4.9 63.9 1.0
SG B:CYS276 4.9 55.9 1.0
O B:ARG266 5.0 70.6 1.0

Iron binding site 8 out of 8 in 8wm2

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Iron binding site 8 out of 8 in the Crystal Structure of Abmm


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Abmm within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:57.5
occ:1.00
 FE4 B:SF4401 0.0 57.5 1.0
S2 B:SF4401 2.1 55.0 1.0
S1 B:SF4401 2.1 47.5 1.0
S3 B:SF4401 2.1 56.0 1.0
SG B:CYS294 2.3 63.9 1.0
CB B:CYS294 2.9 51.1 1.0
FE1 B:SF4401 3.0 60.4 1.0
FE2 B:SF4401 3.0 52.9 1.0
FE3 B:SF4401 3.0 59.2 1.0
NH1 B:ARG266 3.3 55.7 1.0
S4 B:SF4401 3.7 49.2 1.0
CG2 B:THR297 3.9 45.2 1.0
CA B:CYS294 4.2 53.4 1.0
CZ B:ARG266 4.3 60.2 1.0
NH2 B:ARG266 4.5 59.0 1.0
CD1 B:TRP300 4.7 51.9 1.0
NE1 B:TRP300 4.8 55.2 1.0

Reference:

R.Ushimaru, T.Mori, I.Abe, H.-W.Liu. Crystal Structure of Abmm To Be Published.
Page generated: Thu Oct 31 20:50:21 2024

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