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Molybdenum in PDB 6fw2: Crystal Structure of Human MARC1

Enzymatic activity of Crystal Structure of Human MARC1

All present enzymatic activity of Crystal Structure of Human MARC1:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Human MARC1, PDB code: 6fw2 was solved by C.Kubitza, A.Scheidig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.57 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.133, 74.818, 110.726, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 20.8

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of Human MARC1 (pdb code 6fw2). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 5 binding sites of Molybdenum where determined in the Crystal Structure of Human MARC1, PDB code: 6fw2:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5;

Molybdenum binding site 1 out of 5 in 6fw2

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Molybdenum binding site 1 out of 5 in the Crystal Structure of Human MARC1


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of Human MARC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1202

b:29.7
occ:0.60
MO A:EFK1202 0.0 29.7 0.6
OT1 A:EFK1202 1.7 29.2 0.6
OT2 A:EFK1202 1.7 27.2 0.6
S2' A:MTE1201 2.2 26.8 1.0
S1' A:MTE1201 2.6 32.6 1.0
SG A:CYS273 2.7 62.8 0.5
C2' A:MTE1201 3.2 19.4 1.0
C1' A:MTE1201 3.3 22.3 1.0
CB A:CYS273 3.4 56.2 0.5
N A:CYS273 3.5 48.9 0.5
N A:CYS273 3.5 49.7 0.5
CA A:CYS273 4.0 56.0 0.5
O A:SER271 4.1 49.9 1.0
NE A:ARG272 4.2 37.8 1.0
CA A:ARG272 4.2 46.6 1.0
C A:ARG272 4.2 51.5 1.0
NH1 A:ARG272 4.3 33.3 1.0
CA A:CYS273 4.3 51.8 0.5
CB A:CYS273 4.5 52.9 0.5
O A:HOH1586 4.6 27.4 1.0
C3' A:MTE1201 4.6 18.2 1.0
O A:CYS273 4.6 46.4 0.5
C A:CYS273 4.6 53.9 0.5
O A:CYS273 4.6 49.7 0.5
C A:CYS273 4.7 51.7 0.5
CZ A:ARG272 4.7 36.7 1.0
C6 A:MTE1201 4.8 20.2 1.0
CB A:LEU275 4.8 46.1 1.0
OD2 A:ASP209 4.8 24.1 0.6
NH1 A:ARG107 4.8 50.4 1.0
CB A:ARG272 5.0 38.5 1.0

Molybdenum binding site 2 out of 5 in 6fw2

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Molybdenum binding site 2 out of 5 in the Crystal Structure of Human MARC1


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of Human MARC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1204

b:50.4
occ:0.60
MO A:MOO1204 0.0 50.4 0.6
O3 A:MOO1204 1.9 42.1 0.6
O1 A:MOO1204 1.9 38.7 0.6
O2 A:MOO1204 1.9 41.1 0.6
O4 A:MOO1204 1.9 54.2 0.6
N A:LEU1015 3.8 21.5 1.0
CG A:LYS1016 4.4 33.1 1.0
CA A:ARG1014 4.5 24.9 1.0
N A:LYS1016 4.5 25.6 1.0
CD A:LYS1016 4.6 45.1 1.0
CB A:LEU1015 4.6 25.0 1.0
C A:ARG1014 4.6 24.3 1.0
CA A:LEU1015 4.7 23.0 1.0
CB A:ARG1014 4.8 24.7 1.0
CB A:LYS1016 4.9 28.7 1.0
C A:LEU1015 5.0 26.2 1.0
NE A:ARG1014 5.0 55.5 1.0

Molybdenum binding site 3 out of 5 in 6fw2

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Molybdenum binding site 3 out of 5 in the Crystal Structure of Human MARC1


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Crystal Structure of Human MARC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1205

b:34.4
occ:0.85
MO A:MOO1205 0.0 34.4 0.8
O3 A:MOO1205 1.8 32.7 0.8
O2 A:MOO1205 1.9 35.5 0.8
O1 A:MOO1205 1.9 34.7 0.8
O4 A:MOO1205 1.9 31.9 0.8
ND2 A:ASN1132 3.7 28.5 1.0
CB A:ASN1116 3.9 33.9 1.0
N A:ASN1116 3.9 24.6 1.0
ND2 A:ASN1116 4.0 37.8 1.0
CA A:PHE1114 4.1 22.0 1.0
O A:HOH1417 4.2 40.7 1.0
C A:PHE1114 4.2 27.0 1.0
N A:SER1117 4.2 23.8 1.0
N A:THR1115 4.3 26.9 1.0
OG A:SER1117 4.4 26.4 1.0
CG A:ASN1116 4.4 39.9 1.0
CA A:ASN1116 4.4 27.4 1.0
O A:PHE1114 4.7 27.2 1.0
CB A:PHE1114 4.7 22.6 1.0
CD2 A:PHE1114 4.8 34.2 1.0
O A:GLY1113 4.8 28.4 1.0
C A:ASN1116 4.9 21.8 1.0
CG A:ASN1132 4.9 29.0 1.0
C A:THR1115 4.9 24.5 1.0

Molybdenum binding site 4 out of 5 in 6fw2

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Molybdenum binding site 4 out of 5 in the Crystal Structure of Human MARC1


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Crystal Structure of Human MARC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1206

b:61.3
occ:0.70
MO A:MOO1206 0.0 61.3 0.7
O2 A:MOO1206 1.9 56.4 0.7
O3 A:MOO1206 1.9 50.6 0.7
O1 A:MOO1206 1.9 47.3 0.7
O4 A:MOO1206 1.9 67.6 0.7
O A:HOH1304 2.9 41.0 1.0
NE1 A:TRP1126 3.9 16.8 1.0
O A:HOH1301 3.9 37.0 1.0
CE2 A:TRP1126 4.6 17.5 1.0
O A:HOH1450 4.7 26.6 1.0
CZ2 A:TRP1126 4.7 16.2 1.0
CD A:LYS1124 4.7 19.6 1.0
CD1 A:TRP1126 4.9 18.4 1.0
NH1 A:ARG1095 4.9 15.7 1.0

Molybdenum binding site 5 out of 5 in 6fw2

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Molybdenum binding site 5 out of 5 in the Crystal Structure of Human MARC1


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Crystal Structure of Human MARC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1207

b:30.8
occ:0.75
MO A:MOO1207 0.0 30.8 0.8
O2 A:MOO1207 1.8 21.9 0.8
O4 A:MOO1207 1.9 30.2 0.8
O1 A:MOO1207 1.9 33.0 0.8
O3 A:MOO1207 1.9 27.2 0.8
CB A:THR1142 4.0 25.6 1.0
N A:ARG1145 4.1 16.9 1.0
O A:HOH1491 4.1 32.4 1.0
O A:HOH1506 4.1 25.3 1.0
CA A:THR1142 4.2 21.4 1.0
CB A:ASN1144 4.2 23.1 1.0
CB A:ARG1145 4.4 17.0 1.0
CG2 A:THR1142 4.4 29.3 1.0
N A:ASN1144 4.4 19.0 1.0
O A:HOH1379 4.5 30.4 1.0
C A:THR1142 4.5 23.4 1.0
O A:HOH1626 4.6 58.0 1.0
OD1 A:ASN1144 4.6 37.1 1.0
CA A:ASN1144 4.8 21.4 1.0
N A:PRO1143 4.9 19.1 1.0
CA A:ARG1145 4.9 19.0 1.0
O A:THR1142 4.9 19.7 1.0
C A:ASN1144 4.9 18.9 1.0
CG A:ASN1144 4.9 27.4 1.0

Reference:

C.Kubitza, F.Bittner, C.Ginsel, A.Havemeyer, B.Clement, A.J.Scheidig. Crystal Structure of Human MARC1 Reveals Its Exceptional Position Among Eukaryotic Molybdenum Enzymes. Proc. Natl. Acad. Sci. V. 115 11958 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30397129
DOI: 10.1073/PNAS.1808576115
Page generated: Tue Dec 15 05:20:25 2020

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