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Calcium in PDB 1cgf: Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself

Enzymatic activity of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself

All present enzymatic activity of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself:
3.4.24.7;

Protein crystallography data

The structure of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself, PDB code: 1cgf was solved by B.Lovejoy, A.M.Hassell, M.A.Luther, D.Weigl, S.R.Jordan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.000, 50.500, 48.000, 90.00, 100.00, 90.00
R / Rfree (%) 19.7 / n/a

Other elements in 1cgf:

The structure of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself (pdb code 1cgf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself, PDB code: 1cgf:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1cgf

Go back to Calcium Binding Sites List in 1cgf
Calcium binding site 1 out of 6 in the Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:33.9
occ:1.00
 O A:ASN180 2.2 36.1 1.0
O A:GLY178 2.2 44.1 1.0
O A:GLY176 2.3 29.1 1.0
OD2 A:ASP198 2.3 28.0 1.0
OD1 A:ASP175 2.3 33.0 1.0
OE2 A:GLU201 2.3 32.6 1.0
CG A:ASP198 3.4 26.1 1.0
C A:GLY178 3.4 37.5 1.0
C A:ASN180 3.4 30.3 1.0
C A:GLY176 3.5 23.5 1.0
CD A:GLU201 3.5 32.5 1.0
CG A:ASP175 3.5 30.8 1.0
H A:GLY178 3.7 0.0 1.0
H A:ASP175 3.7 0.0 1.0
N A:GLY178 3.7 35.2 1.0
N A:ASN180 3.9 30.8 1.0
H A:ASN180 3.9 0.0 1.0
CB A:ASP198 4.1 24.0 1.0
OD2 A:ASP175 4.1 29.4 1.0
C A:PRO177 4.1 36.2 1.0
N A:GLY176 4.1 23.3 1.0
CA A:GLY178 4.2 36.6 1.0
C A:GLY179 4.2 35.5 1.0
H A:GLY176 4.3 0.0 1.0
CA A:ASN180 4.3 31.3 1.0
C A:ASP175 4.3 36.5 1.0
CG A:GLU201 4.3 30.3 1.0
N A:PRO177 4.3 36.0 1.0
OE1 A:GLU201 4.3 33.2 1.0
OD1 A:ASP198 4.3 27.4 1.0
N A:ASP175 4.4 36.0 1.0
CA A:PRO177 4.4 36.8 1.0
N A:LEU181 4.4 31.0 1.0
N A:GLY179 4.4 37.9 1.0
CA A:GLY176 4.5 22.4 1.0
CA A:LEU181 4.5 30.4 1.0
CA A:GLY179 4.6 36.0 1.0
CA A:ASP175 4.6 36.3 1.0
CB A:ASP175 4.6 31.6 1.0
O A:ASP175 4.6 34.8 1.0
CD2 A:LEU181 4.7 19.8 1.0
CB A:ASN180 4.7 37.9 1.0
O A:GLY179 4.8 24.3 1.0
O A:PRO177 4.8 36.6 1.0

Calcium binding site 2 out of 6 in 1cgf

Go back to Calcium Binding Sites List in 1cgf
Calcium binding site 2 out of 6 in the Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:30.6
occ:1.00
 O A:GLU199 2.2 30.9 1.0
OD2 A:ASP124 2.3 30.9 1.0
O A:HOH354 2.3 28.2 1.0
OE2 A:GLU199 2.3 31.9 1.0
O A:HOH343 2.4 30.6 1.0
OD1 A:ASP124 2.5 27.6 1.0
O A:GLU201 2.5 31.8 1.0
CG A:ASP124 2.7 29.5 1.0
H2 A:HOH354 2.8 0.0 1.0
H1 A:HOH343 3.0 0.0 1.0
H1 A:HOH354 3.1 0.0 1.0
H2 A:HOH343 3.1 0.0 1.0
C A:GLU199 3.4 30.1 1.0
CD A:GLU199 3.5 31.1 1.0
C A:GLU201 3.8 26.9 1.0
CG A:GLU199 4.0 30.2 1.0
H A:TRP203 4.1 0.0 1.0
CA A:GLU199 4.1 28.8 1.0
CB A:ASP124 4.2 30.4 1.0
CD1 A:TRP203 4.3 28.0 1.0
N A:GLU201 4.4 27.1 1.0
C A:ASP200 4.4 25.3 1.0
OG1 A:THR122 4.4 21.8 1.0
CA A:ARG202 4.4 35.1 1.0
N A:ASP200 4.4 26.6 1.0
H A:ASP124 4.5 0.0 1.0
HG1 A:THR122 4.5 0.0 1.0
OE1 A:GLU199 4.5 32.2 1.0
H A:GLU201 4.5 0.0 1.0
N A:ARG202 4.6 33.2 1.0
HE1 A:TRP203 4.6 0.0 1.0
CA A:ASP200 4.6 25.9 1.0
CB A:GLU199 4.7 30.3 1.0
O A:ASP200 4.7 38.9 1.0
CA A:GLU201 4.8 26.7 1.0
HH22 A:ARG165 4.8 0.0 1.0
NE1 A:TRP203 4.8 27.6 1.0
N A:TRP203 4.9 35.1 1.0

Calcium binding site 3 out of 6 in 1cgf

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Calcium binding site 3 out of 6 in the Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca305

b:28.2
occ:1.00
 O A:HOH319 2.2 23.8 1.0
O A:ASP158 2.3 29.1 1.0
O A:GLY192 2.3 30.4 1.0
O A:HOH310 2.3 22.4 1.0
OD1 A:ASP194 2.5 20.6 1.0
O A:GLY190 2.6 42.6 1.0
H2 A:HOH319 2.8 0.0 1.0
H1 A:HOH310 2.9 0.0 1.0
H2 A:HOH310 2.9 0.0 1.0
H1 A:HOH319 3.0 0.0 1.0
CG A:ASP194 3.4 18.9 1.0
C A:ASP158 3.5 21.1 1.0
C A:GLY192 3.5 21.4 1.0
C A:GLY190 3.8 22.9 1.0
OD2 A:ASP194 3.9 19.0 1.0
H A:MET160 3.9 0.0 1.0
H A:ASP194 4.0 0.0 1.0
C A:ILE191 4.0 24.2 1.0
H2 A:HOH355 4.1 0.0 1.0
N A:GLY192 4.1 22.7 1.0
N A:ASP194 4.1 16.7 1.0
O A:ILE191 4.2 28.1 1.0
O A:HOH355 4.2 30.5 1.0
N A:ILE159 4.3 21.5 1.0
CA A:ILE159 4.4 21.4 1.0
N A:GLY193 4.4 18.9 1.0
CA A:GLY192 4.4 23.4 1.0
CA A:GLY193 4.4 16.8 1.0
O A:HOH336 4.4 28.1 1.0
H2 A:HOH336 4.4 0.0 1.0
C A:GLY193 4.4 17.5 1.0
CA A:ASP158 4.4 21.1 1.0
O A:ALA157 4.4 23.0 1.0
O A:GLY188 4.4 20.8 1.0
H A:GLY192 4.5 0.0 1.0
CA A:ILE191 4.5 24.2 1.0
N A:MET160 4.5 23.3 1.0
CB A:ASP194 4.6 16.9 1.0
N A:ILE191 4.6 25.4 1.0
H1 A:HOH336 4.6 0.0 1.0
CH2 A:TRP109 4.8 24.1 1.0
CA A:ASP194 4.8 15.8 1.0
CG A:MET160 4.8 31.7 1.0
CA A:GLY190 4.9 22.1 1.0
C A:ILE159 4.9 21.2 1.0

Calcium binding site 4 out of 6 in 1cgf

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Calcium binding site 4 out of 6 in the Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca303

b:16.8
occ:1.00
 OD2 B:ASP198 2.2 18.9 1.0
OE2 B:GLU201 2.3 19.6 1.0
O B:GLY178 2.3 17.0 1.0
OD1 B:ASP175 2.3 22.3 1.0
O B:GLY176 2.3 30.9 1.0
O B:ASN180 2.4 20.5 1.0
CG B:ASP198 3.3 18.9 1.0
C B:GLY178 3.5 11.1 1.0
H B:ASP175 3.5 0.0 1.0
CD B:GLU201 3.5 19.1 1.0
CG B:ASP175 3.5 20.6 1.0
C B:ASN180 3.5 17.1 1.0
C B:GLY176 3.6 26.0 1.0
H B:GLY178 3.8 0.0 1.0
H B:ASN180 3.8 0.0 1.0
N B:GLY178 3.9 13.3 1.0
N B:ASN180 4.0 20.4 1.0
CB B:ASP198 4.0 18.1 1.0
N B:GLY176 4.1 24.2 1.0
C B:PRO177 4.1 26.5 1.0
OD2 B:ASP175 4.1 20.7 1.0
C B:ASP175 4.2 20.7 1.0
H B:GLY176 4.2 0.0 1.0
CA B:GLY178 4.3 11.9 1.0
OD1 B:ASP198 4.3 21.8 1.0
OE1 B:GLU201 4.3 21.4 1.0
N B:ASP175 4.3 19.3 1.0
C B:GLY179 4.3 26.3 1.0
CA B:ASN180 4.4 19.2 1.0
CG B:GLU201 4.4 16.5 1.0
N B:PRO177 4.4 27.1 1.0
N B:LEU181 4.4 19.6 1.0
CA B:PRO177 4.4 27.7 1.0
N B:GLY179 4.5 25.0 1.0
CA B:GLY176 4.5 24.9 1.0
CA B:LEU181 4.5 18.6 1.0
CA B:ASP175 4.6 20.4 1.0
CA B:GLY179 4.6 26.0 1.0
CB B:ASP175 4.6 21.2 1.0
O B:ASP175 4.6 23.8 1.0
O B:PRO177 4.7 24.0 1.0
H2 B:HOH307 4.8 0.0 1.0
O B:HOH307 4.9 19.4 1.0

Calcium binding site 5 out of 6 in 1cgf

Go back to Calcium Binding Sites List in 1cgf
Calcium binding site 5 out of 6 in the Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca304

b:20.9
occ:1.00
 O B:HOH340 2.3 34.2 1.0
OE2 B:GLU199 2.3 19.4 1.0
OD2 B:ASP124 2.3 17.7 1.0
O B:GLU199 2.4 18.1 1.0
OD1 B:ASP124 2.4 18.9 1.0
O B:HOH341 2.4 29.2 1.0
O B:GLU201 2.4 20.7 1.0
H1 B:HOH340 2.7 0.0 1.0
CG B:ASP124 2.7 17.3 1.0
H1 B:HOH341 2.9 0.0 1.0
H2 B:HOH341 3.1 0.0 1.0
H2 B:HOH340 3.2 0.0 1.0
CD B:GLU199 3.5 17.7 1.0
C B:GLU199 3.5 20.1 1.0
C B:GLU201 3.7 20.8 1.0
H B:TRP203 4.0 0.0 1.0
CG B:GLU199 4.1 18.2 1.0
CA B:GLU199 4.1 20.8 1.0
H2 B:HOH353 4.2 0.0 1.0
H B:GLU201 4.2 0.0 1.0
OG1 B:THR122 4.2 19.5 1.0
CB B:ASP124 4.2 18.6 1.0
N B:GLU201 4.3 19.5 1.0
CA B:ARG202 4.3 16.2 1.0
H B:ASP124 4.3 0.0 1.0
N B:ARG202 4.5 16.8 1.0
OE1 B:GLU199 4.5 17.7 1.0
CD1 B:TRP203 4.5 18.0 1.0
N B:ASP200 4.6 14.5 1.0
HG1 B:THR122 4.6 0.0 1.0
C B:ASP200 4.7 17.0 1.0
CA B:GLU201 4.7 20.6 1.0
CB B:GLU199 4.7 16.9 1.0
CA B:ASP200 4.8 15.8 1.0
N B:TRP203 4.9 16.0 1.0
O B:HOH379 4.9 30.7 1.0
HE1 B:TRP203 4.9 0.0 1.0
O B:HOH353 4.9 24.3 1.0

Calcium binding site 6 out of 6 in 1cgf

Go back to Calcium Binding Sites List in 1cgf
Calcium binding site 6 out of 6 in the Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca305

b:21.8
occ:1.00
 O B:HOH310 2.2 17.7 1.0
O B:HOH377 2.3 27.7 1.0
O B:ASP158 2.3 20.7 1.0
O B:GLY190 2.4 23.1 1.0
OD1 B:ASP194 2.4 16.3 1.0
O B:GLY192 2.4 21.6 1.0
H1 B:HOH377 2.8 0.0 1.0
H2 B:HOH310 2.9 0.0 1.0
H2 B:HOH377 3.1 0.0 1.0
H1 B:HOH310 3.1 0.0 1.0
CG B:ASP194 3.5 16.1 1.0
C B:ASP158 3.5 16.1 1.0
C B:GLY190 3.6 28.4 1.0
C B:GLY192 3.6 18.5 1.0
H B:MET160 3.8 0.0 1.0
OD2 B:ASP194 3.9 15.5 1.0
H B:ASP194 4.0 0.0 1.0
C B:ILE191 4.1 26.9 1.0
H2 B:HOH306 4.2 0.0 1.0
O B:GLY188 4.2 31.3 1.0
O B:ILE191 4.2 26.1 1.0
N B:GLY192 4.2 19.9 1.0
N B:ASP194 4.3 17.8 1.0
N B:GLY190 4.3 29.1 1.0
CA B:ASP158 4.3 17.7 1.0
O B:HOH308 4.4 26.1 1.0
H B:GLY190 4.4 0.0 1.0
N B:ILE159 4.4 15.2 1.0
CA B:GLY190 4.5 28.3 1.0
CA B:ILE191 4.5 30.0 1.0
N B:GLY193 4.5 16.7 1.0
N B:ILE191 4.5 29.5 1.0
CA B:GLY192 4.5 17.9 1.0
CA B:GLY193 4.5 14.5 1.0
C B:GLY193 4.5 15.5 1.0
CA B:ILE159 4.5 14.9 1.0
H B:GLY192 4.6 0.0 1.0
O B:ALA157 4.6 18.5 1.0
H1 B:HOH308 4.6 0.0 1.0
N B:MET160 4.6 18.5 1.0
C B:PRO189 4.7 29.5 1.0
CB B:ASP194 4.7 14.4 1.0
O B:HOH406 4.7 37.5 1.0
CH2 B:TRP109 4.9 19.6 1.0
CG B:MET160 4.9 24.6 1.0
CA B:ASP194 4.9 17.4 1.0

Reference:

B.Lovejoy, A.M.Hassell, M.A.Luther, D.Weigl, S.R.Jordan. Crystal Structures of Recombinant 19-kDa Human Fibroblast Collagenase Complexed to Itself. Biochemistry V. 33 8207 1994.
ISSN: ISSN 0006-2960
PubMed: 8031754
DOI: 10.1021/BI00193A006
Page generated: Thu Jul 11 06:56:35 2024

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