Calcium in PDB 3hb2: Prtc Methionine Mutants: M226I

The structure of Prtc Methionine Mutants: M226I, PDB code: 3hb2 was solved by A.E.Oberholzer, M.Bumann, T.Hege, S.Russo, U.Baumann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.77 / 1.75
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.407, 102.407, 121.035, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 17.9

The structure of Prtc Methionine Mutants: M226I also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Calcium atom in the Prtc Methionine Mutants: M226I (pdb code 3hb2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Prtc Methionine Mutants: M226I, PDB code: 3hb2:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in the Prtc Methionine Mutants: M226I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Prtc Methionine Mutants: M226I within 5.0Å range: probe atom residue distance (Å) B Occ P:Ca480 b:14.0 occ:1.00 O P:ARG265 2.3 13.7 1.0 OD2 P:ASP302 2.3 13.8 1.0 O P:GLY299 2.4 14.2 1.0 O P:GLY267 2.4 15.3 1.0 OG P:SER269 2.4 14.3 1.0 OD2 P:ASP297 2.5 14.9 1.0 OD1 P:ASP297 2.5 15.8 1.0 CG P:ASP297 2.8 14.7 1.0 CG P:ASP302 3.2 14.6 1.0 OD1 P:ASP302 3.4 14.6 1.0 CB P:SER269 3.4 12.7 1.0 C P:ARG265 3.5 13.5 1.0 C P:GLY299 3.6 14.2 1.0 C P:GLY267 3.6 17.1 1.0 N P:SER269 3.8 15.1 1.0 N P:GLY267 4.1 16.1 1.0 C P:THR266 4.1 15.4 1.0 CB P:ARG265 4.2 14.5 1.0 N P:GLY299 4.2 12.4 1.0 CA P:THR266 4.3 12.2 1.0 CA P:SER269 4.3 13.8 1.0 CA P:GLY300 4.3 12.6 1.0 N P:THR266 4.3 15.3 1.0 CB P:ASP297 4.3 13.1 1.0 O P:HOH532 4.4 13.9 1.0 N P:GLY300 4.4 15.6 1.0 CA P:ARG265 4.5 13.4 1.0 CA P:GLY267 4.5 17.7 1.0 O P:THR266 4.5 16.1 1.0 CB P:ASP302 4.5 13.7 1.0 CA P:GLY299 4.5 14.6 1.0 C P:ASP268 4.5 16.9 1.0 N P:ASP268 4.5 14.0 1.0 CA P:ASP268 4.5 12.3 1.0 O P:HOH2 4.5 12.2 1.0 C P:GLY300 4.6 14.7 1.0 OH P:TYR271 4.8 13.9 1.0 O P:GLY300 4.8 14.5 1.0 N P:ALA298 4.9 12.5 1.0

Calcium binding site 2 out of 7 in the Prtc Methionine Mutants: M226I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Prtc Methionine Mutants: M226I within 5.0Å range: probe atom residue distance (Å) B Occ P:Ca481 b:14.6 occ:1.00 OD1 P:ASP302 2.3 14.6 1.0 O P:HOH532 2.4 13.9 1.0 O P:THR339 2.4 14.2 1.0 O P:GLY300 2.4 14.5 1.0 OE2 P:GLU341 2.5 15.6 1.0 O P:HOH533 2.5 15.6 1.0 OE1 P:GLU341 2.5 15.3 1.0 CD P:GLU341 2.8 16.8 1.0 CG P:ASP302 3.5 14.6 1.0 C P:GLY300 3.5 14.7 1.0 C P:THR339 3.5 14.7 1.0 N P:ASP302 4.2 13.5 1.0 CB P:ASP302 4.3 13.7 1.0 N P:GLY300 4.3 15.6 1.0 C P:GLY299 4.3 14.2 1.0 CB P:THR339 4.3 16.1 1.0 OD2 P:ASP302 4.3 13.8 1.0 O P:GLY299 4.4 14.2 1.0 N P:THR301 4.4 15.1 1.0 O P:HOH534 4.4 17.3 1.0 CA P:THR301 4.4 13.6 1.0 CG P:GLU341 4.4 15.8 1.0 N P:ILE340 4.4 13.7 1.0 CA P:THR339 4.4 13.6 1.0 OD1 P:ASP297 4.4 15.8 1.0 CA P:GLY300 4.5 12.6 1.0 CA P:ILE340 4.5 11.7 1.0 CG2 P:THR339 4.7 15.0 1.0 C P:THR301 4.7 13.5 1.0 N P:THR339 4.8 13.8 1.0 N P:GLU341 4.9 14.2 1.0 CA P:GLY299 4.9 14.6 1.0 CA P:ASP302 5.0 12.5 1.0

Calcium binding site 3 out of 7 in the Prtc Methionine Mutants: M226I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Prtc Methionine Mutants: M226I within 5.0Å range: probe atom residue distance (Å) B Occ P:Ca482 b:19.6 occ:1.00 O P:GLY363 2.3 15.3 1.0 OD1 P:ASP368 2.4 19.3 1.0 O P:ALA365 2.4 18.5 1.0 OD2 P:ASP350 2.4 19.5 1.0 O P:GLY346 2.4 19.7 1.0 O P:GLY348 2.4 16.7 1.0 OD2 P:ASP368 2.9 17.2 1.0 CG P:ASP368 3.0 19.1 1.0 CG P:ASP350 3.3 18.8 1.0 C P:GLY363 3.5 17.6 1.0 C P:GLY346 3.5 19.4 1.0 C P:ALA365 3.6 20.0 1.0 C P:GLY348 3.6 19.9 1.0 C P:GLY364 3.9 18.9 1.0 N P:GLY348 4.0 21.8 1.0 O P:GLY364 4.0 19.2 1.0 CB P:ASP350 4.0 16.7 1.0 C P:SER347 4.1 20.2 1.0 OD1 P:ASP350 4.1 18.5 1.0 N P:ALA365 4.1 18.5 1.0 N P:GLY346 4.1 16.6 1.0 CA P:GLY364 4.2 19.6 1.0 N P:ASP350 4.3 19.3 1.0 CA P:GLY366 4.3 20.1 1.0 N P:GLY364 4.3 17.4 1.0 CA P:SER347 4.3 18.9 1.0 N P:SER347 4.4 17.2 1.0 CB P:ASP368 4.4 17.4 1.0 O P:HOH563 4.4 17.5 1.0 CA P:GLY363 4.4 16.2 1.0 CA P:GLY348 4.4 19.3 1.0 N P:GLY366 4.5 19.1 1.0 CA P:GLY346 4.5 16.1 1.0 CA P:ALA365 4.5 20.6 1.0 C P:GLY366 4.6 20.4 1.0 C P:GLY345 4.6 16.5 1.0 N P:ASN349 4.6 19.2 1.0 O P:SER347 4.6 21.0 1.0 O P:GLY366 4.6 19.2 1.0 CA P:CA484 4.7 18.4 1.0 CA P:ASN349 4.7 18.1 1.0 CA P:GLY345 4.9 14.4 1.0 CA P:ASP350 4.9 16.8 1.0 C P:ASN349 5.0 19.8 1.0

Calcium binding site 4 out of 7 in the Prtc Methionine Mutants: M226I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Prtc Methionine Mutants: M226I within 5.0Å range: probe atom residue distance (Å) B Occ P:Ca483 b:15.8 occ:1.00 O P:ALA374 2.4 15.6 1.0 OD1 P:ASN359 2.4 15.1 1.0 O P:GLY372 2.4 14.8 1.0 O P:ALA357 2.4 13.5 1.0 O P:ASN355 2.4 15.9 1.0 OD1 P:ASP377 2.4 15.7 1.0 OD2 P:ASP377 2.9 14.5 1.0 CG P:ASP377 3.0 13.8 1.0 CG P:ASN359 3.4 15.0 1.0 C P:GLY372 3.5 16.5 1.0 C P:ALA374 3.6 17.1 1.0 C P:ASN355 3.6 14.9 1.0 C P:ALA357 3.6 15.8 1.0 N P:ASN355 4.0 15.2 1.0 C P:GLY373 4.0 15.8 1.0 N P:ALA357 4.1 17.4 1.0 C P:SER356 4.1 19.7 1.0 O P:GLY373 4.2 17.1 1.0 N P:ASN359 4.2 13.2 1.0 CB P:ASN359 4.2 14.2 1.0 ND2 P:ASN359 4.2 13.4 1.0 N P:ALA374 4.2 16.5 1.0 CA P:GLY372 4.3 16.3 1.0 N P:GLY373 4.4 15.9 1.0 CA P:SER356 4.4 18.4 1.0 CA P:GLY375 4.4 18.1 1.0 CA P:GLY373 4.4 16.9 1.0 N P:GLY375 4.4 16.9 1.0 CB P:ASP377 4.4 14.3 1.0 N P:SER356 4.5 16.3 1.0 CA P:ASN355 4.5 14.9 1.0 O P:SER356 4.5 17.2 1.0 OD1 P:ASN355 4.5 15.9 1.0 CA P:ALA374 4.5 14.6 1.0 CA P:ALA357 4.5 18.5 1.0 CA P:CA487 4.6 17.2 1.0 N P:ASP358 4.6 17.3 1.0 C P:GLY375 4.6 15.5 1.0 C P:GLY354 4.6 16.8 1.0 O P:GLY375 4.6 14.9 1.0 CA P:ASP358 4.6 14.6 1.0 CA P:GLY354 4.8 15.6 1.0 C P:ASP358 4.8 15.6 1.0 CA P:ASN359 4.9 15.5 1.0

Calcium binding site 5 out of 7 in the Prtc Methionine Mutants: M226I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Prtc Methionine Mutants: M226I within 5.0Å range: probe atom residue distance (Å) B Occ P:Ca484 b:18.4 occ:1.00 O P:GLY381 2.4 17.2 1.0 OD1 P:ASP386 2.4 18.7 1.0 OD2 P:ASP368 2.4 17.2 1.0 O P:ALA383 2.4 23.9 1.0 O P:GLY364 2.4 19.2 1.0 O P:GLY366 2.4 19.2 1.0 OD2 P:ASP386 2.7 19.9 1.0 CG P:ASP386 2.9 18.3 1.0 C P:GLY381 3.5 16.6 1.0 CG P:ASP368 3.5 19.1 1.0 C P:ALA383 3.6 23.4 1.0 C P:GLY366 3.6 20.4 1.0 C P:GLY364 3.6 18.9 1.0 C P:GLY382 3.8 21.5 1.0 C P:ALA365 3.8 20.0 1.0 O P:ALA365 3.9 18.5 1.0 O P:GLY382 3.9 21.4 1.0 CA P:GLY382 4.0 20.1 1.0 CB P:ASP368 4.1 17.4 1.0 N P:GLY366 4.1 19.1 1.0 CA P:ALA365 4.1 20.6 1.0 N P:GLY382 4.2 18.3 1.0 N P:ALA383 4.2 20.1 1.0 N P:ASP368 4.2 18.6 1.0 CA P:GLY384 4.3 22.6 1.0 C P:GLY363 4.3 17.6 1.0 N P:ALA365 4.3 18.5 1.0 N P:GLY384 4.4 22.1 1.0 CB P:ASP386 4.4 18.2 1.0 N P:GLY364 4.4 17.4 1.0 CA P:GLY366 4.4 20.1 1.0 OD1 P:ASP368 4.5 19.3 1.0 CA P:GLY381 4.5 15.8 1.0 O P:GLY363 4.5 15.3 1.0 N P:ASN367 4.5 21.6 1.0 CA P:ALA383 4.5 23.6 1.0 C P:GLY384 4.6 22.6 1.0 CA P:CA485 4.6 14.8 0.5 CA P:GLY364 4.7 19.6 1.0 CA P:ASN367 4.7 21.0 1.0 CA P:GLY363 4.7 16.2 1.0 CA P:CA482 4.7 19.6 1.0 O P:GLY384 4.8 21.8 1.0 CA P:ASP368 4.8 17.5 1.0 C P:ASN367 4.9 20.4 1.0

Calcium binding site 6 out of 7 in the Prtc Methionine Mutants: M226I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Prtc Methionine Mutants: M226I within 5.0Å range: probe atom residue distance (Å) B Occ P:Ca485 b:14.8 occ:0.50 OD2 P:ASP386 2.3 19.9 1.0 OE1 P:GLN408 2.3 31.4 1.0 O P:GLY384 2.4 21.8 1.0 O P:GLY382 2.5 21.4 1.0 OD1 P:ASP412 2.5 23.5 1.0 O P:HOH17 2.6 17.8 1.0 CG P:ASP386 3.3 18.3 1.0 CG P:ASP412 3.3 23.4 1.0 OD2 P:ASP412 3.3 24.3 1.0 C P:GLY384 3.5 22.6 1.0 CD P:GLN408 3.5 37.3 1.0 C P:GLY382 3.7 21.5 1.0 CB P:ASP386 3.7 18.2 1.0 O P:HOH948 3.8 22.6 1.0 N P:GLY384 3.9 22.1 1.0 C P:ALA383 3.9 23.4 1.0 N P:ASP386 3.9 19.4 1.0 O P:ALA383 4.1 23.9 1.0 CA P:GLY384 4.2 22.6 1.0 C P:GLY381 4.2 16.6 1.0 N P:GLY382 4.3 18.3 1.0 OD1 P:ASP386 4.3 18.7 1.0 CG P:GLN408 4.3 32.3 1.0 CA P:ALA383 4.4 23.6 1.0 N P:ARG385 4.5 23.1 1.0 N P:ALA383 4.5 20.1 1.0 NE2 P:GLN408 4.5 34.1 1.0 CA P:GLY381 4.5 15.8 1.0 CA P:ASP386 4.5 20.2 1.0 O P:GLY381 4.5 17.2 1.0 CA P:CA484 4.6 18.4 1.0 CA P:ARG385 4.7 20.9 1.0 CA P:GLY382 4.7 20.1 1.0 CG2 P:ILE411 4.7 27.1 1.0 C P:ARG385 4.8 22.1 1.0 CB P:ASP412 4.8 21.5 1.0

Calcium binding site 7 out of 7 in the Prtc Methionine Mutants: M226I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Prtc Methionine Mutants: M226I within 5.0Å range: probe atom residue distance (Å) B Occ P:Ca487 b:17.2 occ:1.00 OD2 P:ASP377 2.3 14.5 1.0 O P:ASP395 2.3 17.2 1.0 O P:GLY373 2.4 17.1 1.0 O P:GLY375 2.4 14.9 1.0 O P:HOH535 2.4 16.4 1.0 OD1 P:ASP402 2.4 16.7 1.0 CG P:ASP377 3.3 13.8 1.0 CG P:ASP402 3.4 17.8 1.0 C P:ASP395 3.5 17.4 1.0 C P:GLY373 3.5 15.8 1.0 C P:GLY375 3.5 15.5 1.0 OD2 P:ASP402 3.6 16.9 1.0 O P:ALA374 3.8 15.6 1.0 C P:ALA374 3.8 17.1 1.0 CB P:ASP377 4.0 14.3 1.0 N P:ASP377 4.1 13.0 1.0 CA P:ASP395 4.1 15.6 1.0 C P:GLY372 4.1 16.5 1.0 N P:GLY375 4.1 16.9 1.0 N P:GLY373 4.2 15.9 1.0 CA P:ALA374 4.3 14.6 1.0 OD1 P:ASP377 4.3 15.7 1.0 N P:ALA374 4.4 16.5 1.0 O P:GLY372 4.4 14.8 1.0 CB P:ASP395 4.4 15.8 1.0 CA P:GLY375 4.4 18.1 1.0 CA P:GLY372 4.4 16.3 1.0 CA P:GLY373 4.5 16.9 1.0 N P:ALA376 4.5 13.8 1.0 N P:SER396 4.5 15.9 1.0 CA P:CA483 4.6 15.8 1.0 CA P:SER396 4.7 14.7 1.0 CA P:ALA376 4.7 15.2 1.0 CB P:ASP402 4.7 13.3 1.0 O P:HOH9 4.7 15.0 1.0 CA P:ASP377 4.8 12.8 1.0 C P:ALA376 4.8 14.2 1.0 CB P:SER396 4.9 15.6 1.0 O P:HOH616 5.0 23.2 1.0

A.E.Oberholzer, M.Bumann, T.Hege, S.Russo, U.Baumann. Metzincin'S Canonical Methionine Is Responsible For the Structural Integrity of the Zinc-Binding Site Biol.Chem. V. 390 875 2009.
ISSN: ISSN 1431-6730
PubMed: 19558324
DOI: 10.1515/BC.2009.100