Molybdenum in PDB 6fw2: Crystal Structure of Human MARC1

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

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

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 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 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 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 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 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

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