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Calcium in PDB 5mqp: Glycoside Hydrolase BT_1002

Protein crystallography data

The structure of Glycoside Hydrolase BT_1002, PDB code: 5mqp was solved by A.Basle, D.Ndeh, A.Rogowski, A.Cartmell, A.S.Luis, I.Venditto, A.Labourel, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.16 / 2.00
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 208.230, 133.238, 224.077, 90.00, 97.67, 90.00
R / Rfree (%) 18.3 / 22.4

Calcium Binding Sites:

The binding sites of Calcium atom in the Glycoside Hydrolase BT_1002 (pdb code 5mqp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the Glycoside Hydrolase BT_1002, PDB code: 5mqp:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 5mqp

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Calcium binding site 1 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca701

b:34.0
occ:1.00
O A:LEU257 2.3 33.9 1.0
O A:HOH1006 2.3 41.6 1.0
O A:HOH1140 2.3 26.1 1.0
O A:ARG150 2.4 30.0 1.0
OE1 A:GLU263 2.5 30.8 1.0
OD1 A:ASP259 2.5 38.2 1.0
OE2 A:GLU263 2.6 34.5 1.0
CD A:GLU263 2.8 36.0 1.0
CG A:ASP259 3.4 45.4 1.0
C A:LEU257 3.5 32.5 1.0
C A:ARG150 3.6 33.1 1.0
OD2 A:ASP259 3.8 44.9 1.0
N A:ARG150 4.1 32.7 1.0
N A:ASP259 4.1 38.1 1.0
O A:HOH964 4.2 33.1 1.0
CG A:GLU263 4.4 33.4 1.0
CA A:LEU257 4.4 31.8 1.0
O A:ASP151 4.4 34.7 1.0
CA A:ARG150 4.4 32.0 1.0
N A:LEU258 4.5 32.2 1.0
CB A:LEU257 4.5 34.2 1.0
N A:ASP151 4.5 32.8 1.0
C A:ASP151 4.6 32.8 1.0
CA A:LEU258 4.6 34.2 1.0
CA A:ASP151 4.6 33.1 1.0
CB A:ASP259 4.6 41.4 1.0
CG2 A:VAL260 4.7 43.9 1.0
N A:VAL260 4.7 38.8 1.0
C A:LEU258 4.8 36.9 1.0
CA A:ASP259 4.8 41.8 1.0
O A:HOH1121 4.8 43.6 1.0
NH1 A:ARG180 5.0 60.9 1.0

Calcium binding site 2 out of 10 in 5mqp

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Calcium binding site 2 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca701

b:40.1
occ:1.00
O B:ARG150 2.3 35.5 1.0
O B:LEU257 2.4 41.8 1.0
OE1 B:GLU263 2.4 36.9 1.0
O B:HOH1140 2.5 37.3 1.0
OD1 B:ASP259 2.5 48.4 1.0
O B:HOH977 2.5 40.6 1.0
OE2 B:GLU263 2.5 40.3 1.0
CD B:GLU263 2.8 41.4 1.0
CG B:ASP259 3.4 51.2 1.0
C B:ARG150 3.5 33.6 1.0
C B:LEU257 3.6 37.9 1.0
OD2 B:ASP259 3.7 54.2 1.0
N B:ARG150 4.0 30.8 1.0
N B:ASP259 4.0 46.6 1.0
O B:HOH962 4.2 34.1 1.0
CG B:GLU263 4.4 40.0 1.0
CA B:ARG150 4.4 34.7 1.0
CA B:LEU257 4.4 41.5 1.0
O B:ASP151 4.5 40.6 1.0
N B:ASP151 4.5 37.3 1.0
N B:LEU258 4.5 37.1 1.0
CB B:LEU257 4.5 37.9 1.0
CA B:LEU258 4.6 40.0 1.0
CB B:ASP259 4.6 49.2 1.0
CG2 B:VAL260 4.6 43.7 1.0
C B:ASP151 4.6 40.3 1.0
CA B:ASP151 4.6 39.6 1.0
N B:VAL260 4.7 45.2 1.0
CA B:ASP259 4.7 47.8 1.0
C B:LEU258 4.7 44.3 1.0
C B:ALA149 4.9 32.8 1.0

Calcium binding site 3 out of 10 in 5mqp

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Calcium binding site 3 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca702

b:51.1
occ:1.00
OE2 B:GLU21 2.2 45.8 1.0
O B:GLY64 2.2 32.1 1.0
O B:HOH979 2.4 39.8 1.0
O B:HOH1083 2.4 53.9 1.0
O B:ARG60 2.5 39.5 1.0
O B:ARG62 2.7 36.0 1.0
CD B:GLU21 3.2 49.8 1.0
C B:GLY64 3.4 31.0 1.0
C B:ARG60 3.6 37.2 1.0
OE1 B:GLU21 3.6 54.4 1.0
C B:ARG62 3.8 40.2 1.0
N B:GLY64 3.9 33.5 1.0
C B:GLY63 4.1 37.9 1.0
C B:VAL61 4.1 37.2 1.0
CA B:GLY64 4.2 32.9 1.0
N B:ARG62 4.3 41.9 1.0
O B:VAL61 4.3 32.6 1.0
CG B:GLU21 4.3 48.3 1.0
N B:ILE65 4.4 28.2 1.0
CA B:ARG60 4.4 37.0 1.0
N B:VAL61 4.5 35.3 1.0
O B:GLY63 4.5 35.9 1.0
CA B:ILE65 4.5 25.7 1.0
CA B:VAL61 4.6 36.3 1.0
CA B:GLY63 4.6 37.7 1.0
CA B:ARG62 4.7 44.2 1.0
N B:GLY63 4.7 38.3 1.0
CB B:ARG60 4.9 38.5 1.0

Calcium binding site 4 out of 10 in 5mqp

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Calcium binding site 4 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca701

b:35.4
occ:1.00
O C:HOH804 2.3 36.2 1.0
O C:ARG150 2.3 36.6 1.0
O C:LEU257 2.4 37.6 1.0
OE1 C:GLU263 2.4 36.9 1.0
O C:HOH1105 2.5 37.2 1.0
OE2 C:GLU263 2.6 35.0 1.0
OD1 C:ASP259 2.6 39.6 1.0
CD C:GLU263 2.8 35.7 1.0
CG C:ASP259 3.4 42.4 1.0
C C:ARG150 3.5 37.6 1.0
C C:LEU257 3.6 34.7 1.0
OD2 C:ASP259 3.8 48.2 1.0
N C:ASP259 4.0 39.9 1.0
N C:ARG150 4.0 36.1 1.0
O C:HOH1033 4.2 35.6 1.0
NH2 C:ARG180 4.4 68.6 1.0
CG C:GLU263 4.4 32.7 1.0
CA C:ARG150 4.4 37.6 1.0
CA C:LEU257 4.4 35.9 1.0
CB C:LEU257 4.4 37.4 1.0
O C:ASP151 4.4 40.4 1.0
N C:ASP151 4.5 37.0 1.0
N C:LEU258 4.5 34.1 1.0
CA C:LEU258 4.5 36.4 1.0
C C:ASP151 4.5 42.9 1.0
CB C:ASP259 4.6 39.7 1.0
CA C:ASP151 4.6 38.7 1.0
CA C:ASP259 4.7 40.4 1.0
C C:LEU258 4.7 38.2 1.0
N C:VAL260 4.8 41.1 1.0
CG2 C:VAL260 4.8 44.7 1.0
C C:ALA149 4.9 38.9 1.0

Calcium binding site 5 out of 10 in 5mqp

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Calcium binding site 5 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca701

b:36.7
occ:1.00
O D:HOH1107 2.2 27.8 1.0
O D:ARG150 2.3 31.2 1.0
O D:HOH834 2.3 39.4 1.0
O D:LEU257 2.4 32.4 1.0
OD1 D:ASP259 2.5 38.1 1.0
OE1 D:GLU263 2.5 35.8 1.0
OE2 D:GLU263 2.6 34.0 1.0
CD D:GLU263 2.9 36.8 1.0
CG D:ASP259 3.5 43.6 1.0
C D:ARG150 3.5 31.2 1.0
C D:LEU257 3.6 33.0 1.0
OD2 D:ASP259 3.9 45.9 1.0
N D:ARG150 4.0 30.9 1.0
N D:ASP259 4.0 41.2 1.0
O D:HOH904 4.1 31.5 1.0
O D:ASP151 4.3 37.9 1.0
CA D:ARG150 4.4 29.6 1.0
CG D:GLU263 4.4 37.8 1.0
CA D:LEU257 4.4 33.5 1.0
N D:ASP151 4.5 29.5 1.0
CG2 D:VAL260 4.5 49.6 1.0
CB D:LEU257 4.5 37.3 1.0
C D:ASP151 4.5 35.5 1.0
N D:LEU258 4.6 35.2 1.0
CA D:ASP151 4.6 33.4 1.0
CA D:LEU258 4.6 35.7 1.0
NH2 D:ARG180 4.7 81.1 1.0
CB D:ASP259 4.7 42.9 1.0
N D:VAL260 4.8 49.3 1.0
CA D:ASP259 4.8 46.0 1.0
C D:LEU258 4.8 40.6 1.0
C D:ALA149 5.0 30.2 1.0

Calcium binding site 6 out of 10 in 5mqp

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Calcium binding site 6 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca701

b:39.5
occ:1.00
O E:HOH2147 2.2 44.7 1.0
O E:ARG150 2.2 35.8 1.0
O E:HOH2266 2.3 39.1 1.0
O E:LEU257 2.3 43.5 1.0
OE2 E:GLU263 2.5 40.4 1.0
OE1 E:GLU263 2.5 38.4 1.0
OD1 E:ASP259 2.7 53.4 1.0
CD E:GLU263 2.8 39.2 1.0
C E:ARG150 3.4 38.7 1.0
CG E:ASP259 3.5 48.9 1.0
C E:LEU257 3.6 39.3 1.0
N E:ARG150 3.9 38.2 1.0
OD2 E:ASP259 3.9 48.4 1.0
O E:HOH2194 4.1 41.4 1.0
O E:ASP151 4.1 42.7 1.0
N E:ASP259 4.2 46.1 1.0
CA E:ARG150 4.3 37.6 1.0
CA E:LEU257 4.3 39.4 1.0
CG E:GLU263 4.3 37.9 1.0
N E:ASP151 4.4 37.3 1.0
CB E:LEU257 4.4 39.9 1.0
C E:ASP151 4.4 41.0 1.0
CA E:ASP151 4.5 39.2 1.0
N E:LEU258 4.5 39.1 1.0
CA E:LEU258 4.7 41.6 1.0
CB E:ASP259 4.7 48.6 1.0
N E:VAL260 4.8 48.7 1.0
CA E:ASP259 4.9 47.9 1.0
C E:ALA149 4.9 38.9 1.0
C E:LEU258 4.9 43.0 1.0

Calcium binding site 7 out of 10 in 5mqp

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Calcium binding site 7 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca702

b:54.7
occ:1.00
O E:HOH2291 2.2 38.1 1.0
OE2 E:GLU21 2.3 45.5 1.0
O E:GLY64 2.3 41.3 1.0
O E:ARG60 2.3 50.3 1.0
O E:ARG62 2.3 47.6 1.0
O E:HOH2247 2.4 46.9 1.0
CD E:GLU21 3.1 53.4 1.0
OE1 E:GLU21 3.3 50.9 1.0
C E:ARG60 3.4 52.3 1.0
C E:GLY64 3.5 43.1 1.0
C E:ARG62 3.5 53.8 1.0
N E:GLY64 3.9 52.4 1.0
C E:VAL61 4.1 47.9 1.0
O E:VAL61 4.2 48.5 1.0
CA E:ARG60 4.2 53.2 1.0
N E:ARG62 4.2 56.2 1.0
C E:GLY63 4.2 50.4 1.0
CA E:GLY64 4.3 48.3 1.0
N E:GLY63 4.4 51.0 1.0
CA E:ARG62 4.4 59.1 1.0
N E:ILE65 4.5 43.7 1.0
N E:VAL61 4.5 46.1 1.0
CA E:GLY63 4.5 52.0 1.0
CG E:GLU21 4.6 46.9 1.0
CB E:ARG60 4.6 53.4 1.0
CA E:VAL61 4.6 46.9 1.0
CA E:ILE65 4.6 39.8 1.0
O E:GLY63 4.9 46.0 1.0

Calcium binding site 8 out of 10 in 5mqp

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Calcium binding site 8 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca701

b:41.7
occ:1.00
O F:LEU257 2.3 39.0 1.0
OE2 F:GLU263 2.3 41.9 1.0
O F:HOH965 2.3 45.5 1.0
OE1 F:GLU263 2.3 39.2 1.0
O F:ARG150 2.4 41.9 1.0
O F:HOH1022 2.5 34.8 1.0
OD1 F:ASP259 2.6 42.0 1.0
CD F:GLU263 2.7 41.5 1.0
CG F:ASP259 3.5 45.7 1.0
C F:LEU257 3.5 39.2 1.0
C F:ARG150 3.6 43.0 1.0
OD2 F:ASP259 3.9 44.4 1.0
N F:ASP259 4.0 46.3 1.0
N F:ARG150 4.0 41.6 1.0
O F:HOH841 4.1 42.1 1.0
CG F:GLU263 4.2 38.4 1.0
O F:ASP151 4.4 45.7 1.0
CA F:LEU257 4.4 37.8 1.0
CA F:ARG150 4.4 41.8 1.0
N F:LEU258 4.5 39.8 1.0
N F:ASP151 4.5 42.1 1.0
CB F:LEU257 4.6 38.5 1.0
CA F:LEU258 4.6 41.4 1.0
C F:ASP151 4.6 42.8 1.0
CB F:ASP259 4.7 44.3 1.0
N F:VAL260 4.7 46.0 1.0
CA F:ASP151 4.7 39.8 1.0
C F:LEU258 4.8 42.7 1.0
CA F:ASP259 4.8 46.6 1.0
CG2 F:VAL260 4.9 51.7 1.0
C F:ALA149 5.0 41.6 1.0

Calcium binding site 9 out of 10 in 5mqp

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Calcium binding site 9 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca701

b:43.0
occ:1.00
O G:LEU257 2.2 33.2 1.0
O G:HOH837 2.3 39.0 1.0
OE2 G:GLU263 2.3 54.8 1.0
O G:ARG150 2.4 51.4 1.0
OE1 G:GLU263 2.5 51.6 1.0
O G:HOH989 2.5 44.0 1.0
OD1 G:ASP259 2.6 49.1 1.0
CD G:GLU263 2.7 53.9 1.0
C G:LEU257 3.4 39.1 1.0
CG G:ASP259 3.6 52.2 1.0
C G:ARG150 3.7 50.3 1.0
N G:ASP259 3.9 46.2 1.0
OD2 G:ASP259 4.0 52.5 1.0
O G:HOH812 4.1 37.4 1.0
N G:ARG150 4.1 43.3 1.0
CG G:GLU263 4.2 47.6 1.0
CA G:LEU257 4.3 43.2 1.0
N G:LEU258 4.4 41.0 1.0
O G:ASP151 4.5 42.1 1.0
CB G:LEU257 4.5 45.6 1.0
CA G:LEU258 4.5 43.0 1.0
CA G:ARG150 4.5 45.0 1.0
N G:ASP151 4.6 48.8 1.0
C G:ASP151 4.6 42.2 1.0
CA G:ASP151 4.7 44.4 1.0
C G:LEU258 4.7 43.6 1.0
CA G:ASP259 4.7 48.7 1.0
N G:VAL260 4.7 43.6 1.0
CB G:ASP259 4.7 49.6 1.0
CG2 G:VAL260 4.9 51.0 1.0

Calcium binding site 10 out of 10 in 5mqp

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Calcium binding site 10 out of 10 in the Glycoside Hydrolase BT_1002


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Glycoside Hydrolase BT_1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca701

b:42.4
occ:1.00
O H:HOH1040 2.2 33.5 1.0
O H:LEU257 2.2 41.7 1.0
O H:HOH952 2.3 43.3 1.0
O H:ARG150 2.4 45.6 1.0
OD1 H:ASP259 2.4 59.7 1.0
OE1 H:GLU263 2.6 40.8 1.0
OE2 H:GLU263 2.6 43.4 1.0
CD H:GLU263 2.9 47.4 1.0
CG H:ASP259 3.4 56.2 1.0
C H:LEU257 3.5 39.2 1.0
C H:ARG150 3.6 44.0 1.0
OD2 H:ASP259 3.9 55.7 1.0
N H:ASP259 3.9 49.7 1.0
N H:ARG150 4.1 39.9 1.0
O H:HOH1012 4.2 41.5 1.0
CA H:LEU257 4.4 39.5 1.0
N H:LEU258 4.4 42.8 1.0
CG H:GLU263 4.4 47.1 1.0
CA H:ARG150 4.5 43.3 1.0
CB H:LEU257 4.5 43.3 1.0
CA H:LEU258 4.5 46.1 1.0
N H:ASP151 4.6 46.9 1.0
CB H:ASP259 4.6 48.5 1.0
C H:LEU258 4.6 47.5 1.0
O H:ASP151 4.7 58.8 1.0
NH2 H:ARG180 4.7 82.0 1.0
CA H:ASP259 4.7 49.6 1.0
CA H:ASP151 4.8 47.5 1.0
C H:ASP151 4.8 49.4 1.0
CG2 H:VAL260 4.8 56.8 1.0
N H:VAL260 4.9 51.5 1.0
C H:ALA149 5.0 38.3 1.0

Reference:

D.Ndeh, A.Rogowski, A.Cartmell, A.S.Luis, A.Basle, J.Gray, I.Venditto, B.Briggs, X.Zhang, A.Labourel, N.Terrapon, F.Buffetto, S.Nepogodiev, Y.Xiao, R.A.Field, Y.Zhu, M.A.Oneil, B.R.Urbanowicz, W.S.York, G.J.Davies, D.W.Abbott, M.-C.Ralet, E.C.Martens, B.Henrissat, H.J.Gilbert. The Most Complex Carbohydrate Known Is Degraded in the Human Gut By Single Organisms and Not Bacterial Consortia To Be Published.
Page generated: Mon Jul 15 08:34:27 2024

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