Samarium in PDB 1qjm: Crystal Structure of A Complex of Lactoferrin with A Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution

The structure of Crystal Structure of A Complex of Lactoferrin with A Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution, PDB code: 1qjm was solved by A.K.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.00 / 3.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.492, 103.191, 113.160, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 31.6

The binding sites of Samarium atom in the Crystal Structure of A Complex of Lactoferrin with A Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution (pdb code 1qjm). This binding sites where shown within 5.0 Angstroms radius around Samarium atom.
In total 2 binding sites of Samarium where determined in the Crystal Structure of A Complex of Lactoferrin with A Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution, PDB code: 1qjm:
Jump to Samarium binding site number: 1; 2;

Samarium binding site 1 out of 2 in the Crystal Structure of A Complex of Lactoferrin with A Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 1 of Crystal Structure of A Complex of Lactoferrin with A Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Sm690 b:25.0 occ:1.00 OH A:TYR92 2.0 25.0 1.0 O1 A:CO3692 2.1 25.0 1.0 OH A:TYR192 2.4 25.0 1.0 O2 A:CO3692 2.5 25.0 1.0 C A:CO3692 2.7 25.0 1.0 OD1 A:ASP60 2.7 25.0 1.0 NE2 A:HIS253 2.8 25.0 1.0 CZ A:TYR92 3.0 25.0 1.0 CZ A:TYR192 3.2 25.0 1.0 CE2 A:TYR92 3.4 25.0 1.0 CE1 A:TYR192 3.4 25.0 1.0 CG A:ASP60 3.6 25.0 1.0 O3 A:CO3692 3.7 25.0 1.0 CD2 A:HIS253 3.8 25.0 1.0 CE1 A:HIS253 3.8 25.0 1.0 OD2 A:ASP60 4.0 25.0 1.0 CE1 A:TYR92 4.1 25.0 1.0 NH2 A:ARG121 4.1 25.0 1.0 CB A:ALA123 4.2 25.0 1.0 N A:ALA123 4.3 25.0 1.0 CB A:SER122 4.4 25.0 1.0 CE2 A:TYR192 4.4 25.0 1.0 OG A:SER122 4.5 25.0 1.0 NZ A:LYS210 4.7 25.0 1.0 N A:SER122 4.7 25.0 1.0 CD1 A:TYR192 4.7 25.0 1.0 CD2 A:TYR92 4.7 25.0 1.0 CB A:ASP60 4.7 25.0 1.0 NE A:ARG121 4.8 25.0 1.0 CA A:ALA123 4.9 25.0 1.0 ND1 A:HIS253 5.0 25.0 1.0 CA A:SER122 5.0 25.0 1.0 CG A:HIS253 5.0 25.0 1.0

Samarium binding site 2 out of 2 in the Crystal Structure of A Complex of Lactoferrin with A Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 2 of Crystal Structure of A Complex of Lactoferrin with A Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Sm691 b:25.0 occ:1.00 NH2 A:ARG463 2.7 25.0 1.0 OH A:TYR526 2.8 25.0 1.0 OH A:TYR433 2.9 25.0 1.0 CE1 A:HIS595 3.0 25.0 1.0 CZ A:TYR526 3.0 25.0 1.0 NE2 A:HIS595 3.0 25.0 1.0 C A:CO3693 3.0 25.0 1.0 O1 A:CO3693 3.1 25.0 1.0 O3 A:CO3693 3.1 25.0 1.0 O2 A:CO3693 3.1 25.0 1.0 OD1 A:ASP395 3.2 25.0 1.0 CG A:ASP395 3.3 25.0 1.0 CE2 A:TYR526 3.5 25.0 1.0 OD2 A:ASP395 3.5 25.0 1.0 CE1 A:TYR526 3.5 25.0 1.0 CZ A:ARG463 3.7 25.0 1.0 CZ A:TYR433 4.0 25.0 1.0 NE A:ARG463 4.0 25.0 1.0 CB A:ASP395 4.1 25.0 1.0 ND1 A:HIS595 4.2 25.0 1.0 CD2 A:HIS595 4.2 25.0 1.0 CB A:ALA465 4.3 25.0 1.0 CD2 A:TYR526 4.4 25.0 1.0 CD1 A:TYR526 4.4 25.0 1.0 CE2 A:TYR433 4.8 25.0 1.0 CG A:TYR526 4.8 25.0 1.0 CE1 A:TYR433 4.8 25.0 1.0 CG A:HIS595 4.8 25.0 1.0 NH1 A:ARG463 4.8 25.0 1.0

A.K.Sharma, T.P.Singh. Lactoferrin-Metal Interactions: First Crystal Structure of A Complex of Lactoferrin with A Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution Acta Crystallogr.,Sect.D V. 55 1799 1999.
ISSN: ISSN 0907-4449
PubMed: 10531475
DOI: 10.1107/S0907444999009865