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Calcium in PDB 4fvl: Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain

Protein crystallography data

The structure of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain, PDB code: 4fvl was solved by E.A.Stura, L.Vera, R.Visse, H.Nagase, V.Dive, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.11 / 2.44
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 125.780, 157.270, 105.550, 90.00, 90.00, 90.00
R / Rfree (%) 16.6 / 22.3

Other elements in 4fvl:

The structure of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms
Zinc (Zn) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain (pdb code 4fvl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain, PDB code: 4fvl:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 4fvl

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Calcium binding site 1 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:39.7
occ:1.00
O A:LEU184 2.2 34.7 1.0
OD2 A:ASP202 2.2 38.5 1.0
OE2 A:GLU205 2.3 37.2 1.0
O A:GLY180 2.3 40.8 1.0
OD1 A:ASP179 2.5 36.0 1.0
O A:SER182 2.5 42.0 1.0
CG A:ASP202 3.3 35.2 1.0
C A:LEU184 3.4 34.4 1.0
CD A:GLU205 3.5 29.8 1.0
C A:GLY180 3.5 44.1 1.0
CG A:ASP179 3.6 40.6 1.0
C A:SER182 3.6 34.5 1.0
N A:LEU184 3.9 30.4 1.0
CB A:ASP202 3.9 32.5 1.0
N A:GLY180 4.0 37.9 1.0
CA A:LEU184 4.0 32.0 1.0
N A:SER182 4.1 46.0 1.0
OD2 A:ASP179 4.1 48.0 1.0
N A:ASP179 4.2 39.1 1.0
C A:PRO181 4.2 51.5 1.0
CB A:LEU184 4.2 35.0 1.0
C A:ASP179 4.2 41.7 1.0
C A:GLY183 4.2 37.9 1.0
OD1 A:ASP202 4.3 39.6 1.0
OE1 A:GLU205 4.3 37.0 1.0
CA A:SER182 4.3 33.9 1.0
CG A:GLU205 4.3 32.7 1.0
CA A:GLY180 4.3 40.3 1.0
N A:LEU185 4.5 29.5 1.0
N A:PRO181 4.5 42.0 1.0
O A:PRO181 4.5 46.2 1.0
CA A:PRO181 4.6 49.5 1.0
CA A:ASP179 4.6 40.3 1.0
N A:GLY183 4.6 31.6 1.0
O A:GLY183 4.7 32.4 1.0
CB A:ASP179 4.7 49.7 1.0
CA A:LEU185 4.7 28.8 1.0
O A:ASP179 4.7 51.1 1.0
CA A:GLY183 4.7 37.3 1.0
CB A:PHE178 4.9 39.1 1.0
CD1 A:LEU185 5.0 33.7 1.0

Calcium binding site 2 out of 10 in 4fvl

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Calcium binding site 2 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


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Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:43.7
occ:1.00
O A:ASN194 2.3 43.7 1.0
O A:ASP162 2.3 33.4 1.0
O A:HOH663 2.4 42.1 1.0
O A:HOH619 2.5 37.1 1.0
O A:GLY196 2.6 47.7 1.0
OD1 A:ASP198 2.6 37.0 1.0
C A:ASP162 3.4 35.8 1.0
C A:ASN194 3.5 43.2 1.0
C A:GLY196 3.5 41.1 1.0
CG A:ASP198 3.6 44.8 1.0
N A:GLY196 4.0 41.0 1.0
C A:TYR195 4.0 44.5 1.0
O A:ALA161 4.1 39.0 1.0
N A:ASP198 4.1 27.4 1.0
O A:HOH629 4.1 41.0 1.0
CA A:ASP162 4.2 37.0 1.0
OD2 A:ASP198 4.2 42.6 1.0
CA A:GLY196 4.2 41.9 1.0
O A:TYR195 4.3 41.1 1.0
CA A:ASN194 4.4 50.3 1.0
N A:ILE163 4.4 34.7 1.0
N A:TYR195 4.4 37.3 1.0
N A:GLY197 4.4 39.8 1.0
N A:ASN194 4.4 47.7 1.0
CA A:TYR195 4.4 39.1 1.0
O A:GLY192 4.5 50.6 1.0
N A:MET164 4.5 29.2 1.0
CA A:ILE163 4.5 32.8 1.0
CA A:GLY197 4.5 34.4 1.0
C A:GLY197 4.6 30.6 1.0
CB A:ASP198 4.7 35.1 1.0
CG A:MET164 4.8 35.8 1.0
C A:PRO193 4.8 49.6 1.0
CA A:ASP198 4.8 29.4 1.0
CH2 A:TRP113 4.9 38.4 1.0

Calcium binding site 3 out of 10 in 4fvl

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Calcium binding site 3 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca505

b:17.6
occ:1.00
O A:ASP291 2.3 19.5 1.0
O A:ASP432 2.3 17.4 1.0
O A:ASP335 2.4 16.1 1.0
O A:HOH669 2.4 23.2 1.0
O A:SER383 2.5 18.9 1.0
O A:HOH605 2.5 30.2 1.0
O A:HOH612 2.6 23.4 1.0
C A:ASP291 3.4 18.1 1.0
C A:ASP432 3.5 16.2 1.0
C A:ASP335 3.5 18.6 1.0
C A:SER383 3.5 20.2 1.0
CA A:ASP291 4.0 17.4 1.0
CA A:ASP335 4.1 19.0 1.0
CA A:ASP432 4.1 14.2 1.0
CA A:SER383 4.2 21.0 1.0
N A:ALA292 4.5 18.9 1.0
N A:ALA433 4.6 13.2 1.0
N A:ALA336 4.6 22.6 1.0
N A:ALA384 4.6 18.6 1.0
O A:LEU290 4.7 20.3 1.0
CB A:SER383 4.7 20.7 1.0
O A:ILE334 4.8 25.5 0.3
CB A:ASP291 4.8 21.6 1.0
CB A:ASP432 4.8 19.0 1.0
O A:ILE334 4.9 25.7 0.7
O A:VAL431 4.9 19.7 1.0
CB A:ASP335 4.9 19.0 1.0
CA A:ALA292 4.9 16.7 1.0
CA A:ALA433 4.9 14.1 1.0
CA A:ALA384 4.9 17.1 1.0
CA A:ALA336 5.0 15.7 1.0

Calcium binding site 4 out of 10 in 4fvl

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Calcium binding site 4 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca506

b:34.5
occ:1.00
O A:ALA385 2.2 19.7 1.0
O A:ILE293 2.3 22.6 1.0
O A:ALA337 2.4 21.2 1.0
O A:VAL434 2.5 16.1 1.0
CL A:CL508 2.7 14.8 1.0
CL A:CL509 3.1 38.0 1.0
C A:ALA385 3.5 21.1 1.0
C A:ILE293 3.5 18.6 1.0
C A:ALA337 3.6 21.3 1.0
C A:VAL434 3.7 14.5 1.0
N A:ALA385 4.1 15.5 1.0
N A:ILE293 4.1 15.7 1.0
N A:VAL434 4.2 12.5 1.0
N A:ALA337 4.3 18.7 1.0
CA A:ALA385 4.3 17.7 1.0
CA A:ILE293 4.4 19.3 1.0
CG1 A:VAL434 4.4 13.6 1.0
N A:VAL386 4.4 20.0 1.0
CA A:VAL386 4.5 19.1 1.0
CA A:ALA337 4.5 23.6 1.0
N A:THR294 4.5 18.1 1.0
CA A:VAL434 4.5 14.9 1.0
CA A:TYR338 4.5 24.3 1.0
CB A:TYR338 4.5 22.9 1.0
N A:TYR338 4.5 22.6 1.0
CA A:THR294 4.6 20.0 1.0
N A:TYR435 4.7 17.2 1.0
CA A:TYR435 4.7 22.4 1.0
OG1 A:THR294 4.7 30.3 1.0
CB A:VAL386 4.7 23.4 1.0
CB A:TYR435 4.8 18.0 1.0
CB A:ALA385 4.8 21.5 1.0
CB A:ILE293 4.8 19.8 1.0
CG2 A:THR294 4.8 27.3 1.0
CB A:ALA337 4.9 17.0 1.0
CB A:THR294 5.0 25.9 1.0

Calcium binding site 5 out of 10 in 4fvl

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Calcium binding site 5 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca507

b:55.2
occ:1.00
O A:ASP203 2.2 36.2 1.0
O A:GLU205 2.4 39.5 1.0
OD2 A:ASP128 2.5 40.4 1.0
OD2 A:ASP203 2.9 43.6 1.0
C A:ASP203 3.2 37.7 1.0
CG A:ASP128 3.4 49.4 1.0
C A:GLU205 3.5 36.9 1.0
OD1 A:ASP128 3.5 51.2 1.0
CA A:ASP203 3.9 35.1 1.0
CG A:ASP203 3.9 42.9 1.0
C A:ASP204 4.0 43.2 1.0
N A:GLU205 4.1 33.0 1.0
N A:ASP204 4.1 39.0 1.0
CB A:ASP203 4.2 35.6 1.0
CA A:ASP204 4.2 34.8 1.0
N A:THR206 4.3 36.2 1.0
CA A:THR206 4.3 37.6 1.0
O A:ASP204 4.4 40.5 1.0
OG1 A:THR126 4.4 32.7 1.0
CA A:GLU205 4.4 34.7 1.0
CD1 A:TRP207 4.6 29.4 1.0
CB A:ASP128 4.8 40.7 1.0
OD1 A:ASP203 5.0 48.2 1.0
NE1 A:TRP207 5.0 36.9 1.0

Calcium binding site 6 out of 10 in 4fvl

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Calcium binding site 6 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca503

b:22.5
occ:1.00
O B:GLY180 2.2 33.1 1.0
OE2 B:GLU205 2.2 26.8 1.0
O B:SER182 2.2 22.7 1.0
OD2 B:ASP202 2.3 21.0 1.0
O B:LEU184 2.3 23.5 1.0
OD1 B:ASP179 2.4 20.1 1.0
CG B:ASP202 3.4 23.8 1.0
C B:GLY180 3.4 26.9 1.0
C B:SER182 3.4 24.4 1.0
CD B:GLU205 3.4 24.9 1.0
C B:LEU184 3.5 25.0 1.0
CG B:ASP179 3.5 26.3 1.0
N B:LEU184 3.9 18.9 1.0
N B:SER182 3.9 33.0 1.0
N B:GLY180 3.9 29.4 1.0
C B:PRO181 4.0 27.7 1.0
CB B:ASP202 4.0 22.9 1.0
OD2 B:ASP179 4.1 23.8 1.0
CA B:LEU184 4.1 19.9 1.0
CA B:SER182 4.2 29.2 1.0
C B:GLY183 4.2 23.9 1.0
C B:ASP179 4.2 21.8 1.0
CA B:GLY180 4.2 28.1 1.0
OE1 B:GLU205 4.3 25.7 1.0
OD1 B:ASP202 4.3 17.5 1.0
N B:PRO181 4.3 27.5 1.0
N B:ASP179 4.3 22.9 1.0
O B:PRO181 4.3 28.8 1.0
CG B:GLU205 4.3 24.8 1.0
CB B:LEU184 4.4 26.9 1.0
CA B:PRO181 4.4 28.1 1.0
N B:GLY183 4.4 26.8 1.0
CA B:GLY183 4.6 22.6 1.0
N B:LEU185 4.6 21.1 1.0
CA B:ASP179 4.6 19.9 1.0
CB B:ASP179 4.7 21.1 1.0
O B:ASP179 4.7 30.8 1.0
O B:GLY183 4.8 26.8 1.0
CA B:LEU185 4.8 19.3 1.0

Calcium binding site 7 out of 10 in 4fvl

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Calcium binding site 7 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca504

b:28.8
occ:1.00
O B:ASP162 2.2 22.6 1.0
O B:ASN194 2.2 35.2 1.0
O B:HOH633 2.3 29.7 1.0
O B:GLY196 2.3 20.5 1.0
OD1 B:ASP198 2.5 27.4 1.0
O B:HOH713 2.6 28.8 1.0
C B:ASP162 3.4 26.2 1.0
C B:ASN194 3.4 33.1 1.0
C B:GLY196 3.5 20.5 1.0
CG B:ASP198 3.5 26.5 1.0
C B:TYR195 3.9 31.0 1.0
OD2 B:ASP198 4.0 29.9 1.0
N B:GLY196 4.0 25.0 1.0
O B:TYR195 4.1 25.0 1.0
N B:ASP198 4.1 19.2 1.0
O B:ALA161 4.2 27.5 1.0
CA B:ASP162 4.2 32.8 1.0
N B:ILE163 4.3 23.4 1.0
CA B:GLY196 4.3 22.1 1.0
CA B:ASN194 4.3 35.9 1.0
N B:TYR195 4.3 34.2 1.0
N B:MET164 4.3 24.3 1.0
CA B:ILE163 4.4 22.7 1.0
CA B:TYR195 4.4 33.3 1.0
O B:GLY192 4.4 32.2 1.0
N B:GLY197 4.4 24.0 1.0
N B:ASN194 4.5 39.0 1.0
C B:GLY197 4.5 18.5 1.0
CA B:GLY197 4.5 20.5 1.0
CB B:ASP198 4.7 17.8 1.0
O B:HOH714 4.7 34.7 1.0
CA B:ASP198 4.7 21.9 1.0
CG B:MET164 4.8 19.9 1.0
C B:ILE163 4.9 25.8 1.0
C B:PRO193 4.9 35.1 1.0
CH2 B:TRP113 4.9 28.8 1.0

Calcium binding site 8 out of 10 in 4fvl

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Calcium binding site 8 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca505

b:25.3
occ:1.00
O B:ASP291 2.3 26.6 1.0
O B:ASP335 2.4 24.4 1.0
O B:SER383 2.4 21.8 1.0
O B:ASP432 2.4 20.2 1.0
O B:HOH606 2.5 27.5 1.0
O B:HOH661 2.6 32.4 1.0
O B:HOH615 2.7 30.9 1.0
C B:ASP335 3.4 27.7 1.0
C B:SER383 3.4 23.0 1.0
C B:ASP291 3.5 24.4 1.0
C B:ASP432 3.6 21.7 1.0
CA B:ASP335 3.9 29.2 1.0
CA B:ASP291 4.0 25.3 1.0
CA B:SER383 4.0 29.5 1.0
CA B:ASP432 4.2 21.5 1.0
N B:ALA336 4.5 25.7 1.0
N B:ALA384 4.5 23.1 1.0
N B:ALA292 4.6 22.1 1.0
CB B:SER383 4.6 24.5 1.0
N B:ALA433 4.7 21.9 1.0
O B:ILE334 4.7 33.9 1.0
CB B:ASP335 4.7 30.0 1.0
CB B:ASP291 4.8 22.6 1.0
O B:LEU290 4.8 30.1 1.0
CB B:ASP432 4.9 21.5 1.0
CA B:ALA336 4.9 25.7 1.0
O B:VAL431 4.9 23.1 1.0
CA B:ALA384 4.9 19.4 1.0
CA B:ALA292 4.9 21.5 1.0

Calcium binding site 9 out of 10 in 4fvl

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Calcium binding site 9 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca506

b:42.3
occ:1.00
O B:ALA385 2.3 20.9 1.0
O B:ALA337 2.4 30.9 1.0
O B:ILE293 2.4 23.4 1.0
O B:VAL434 2.4 18.0 1.0
O B:HOH617 2.7 23.8 1.0
CL B:CL508 2.8 21.3 1.0
C B:ALA385 3.5 24.0 1.0
C B:ALA337 3.6 23.7 1.0
C B:ILE293 3.6 25.8 1.0
C B:VAL434 3.6 21.3 1.0
CB B:THR294 4.2 33.8 1.0
CB B:TYR338 4.2 29.7 1.0
N B:VAL434 4.3 16.6 1.0
N B:ILE293 4.3 23.2 1.0
CA B:TYR338 4.3 30.2 1.0
N B:ALA385 4.3 21.4 1.0
CG1 B:VAL434 4.3 20.4 1.0
CA B:VAL386 4.4 25.1 1.0
N B:ALA337 4.4 17.5 1.0
N B:VAL386 4.4 25.0 1.0
CA B:THR294 4.4 28.5 1.0
N B:TYR338 4.4 32.1 1.0
N B:THR294 4.5 27.6 1.0
CA B:TYR435 4.5 28.3 1.0
CA B:ALA385 4.5 24.1 1.0
N B:TYR435 4.5 26.4 1.0
CA B:VAL434 4.5 20.3 1.0
CA B:ILE293 4.5 24.7 1.0
OG1 B:THR294 4.5 39.5 1.0
CA B:ALA337 4.6 24.3 1.0
CB B:TYR435 4.6 28.4 1.0
CB B:VAL386 4.6 25.9 1.0
CB B:ILE293 4.9 27.4 1.0

Calcium binding site 10 out of 10 in 4fvl

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Calcium binding site 10 out of 10 in the Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Human Collagenase 3 (Mmp-13) Full Form with Peptides From Pro-Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca507

b:47.3
occ:1.00
O B:ASP203 2.3 25.7 1.0
O B:GLU205 2.4 25.6 1.0
OD2 B:ASP128 2.5 30.6 1.0
OD2 B:ASP203 2.7 27.5 1.0
OD1 B:ASP128 3.0 36.8 1.0
CG B:ASP128 3.1 26.3 1.0
C B:ASP203 3.3 21.3 1.0
C B:GLU205 3.6 26.3 1.0
CG B:ASP203 3.7 31.7 1.0
CA B:ASP203 4.0 22.4 1.0
OG1 B:THR126 4.0 23.7 1.0
CB B:ASP203 4.2 22.4 1.0
N B:GLU205 4.3 24.4 1.0
N B:ASP204 4.3 24.9 1.0
CD1 B:TRP207 4.4 19.2 1.0
C B:ASP204 4.4 33.1 1.0
CA B:THR206 4.4 24.7 1.0
N B:THR206 4.5 26.0 1.0
CA B:ASP204 4.6 21.5 1.0
OD1 B:ASP203 4.6 34.1 1.0
CB B:ASP128 4.6 26.8 1.0
CA B:GLU205 4.6 29.3 1.0
N B:TRP207 4.8 25.7 1.0
O B:ASP204 4.8 31.8 1.0
CD B:PRO127 4.9 32.4 1.0
NE1 B:TRP207 4.9 23.9 1.0

Reference:

E.A.Stura, R.Visse, P.Cuniasse, V.Dive, H.Nagase. Crystal Structure of Full-Length Human Collagenase 3 (Mmp-13) with Peptides in the Active Site Defines Exosites in the Catalytic Domain. Faseb J. V. 27 4395 2013.
ISSN: ISSN 0892-6638
PubMed: 23913860
DOI: 10.1096/FJ.13-233601
Page generated: Sat Dec 12 04:47:12 2020

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