Atomistry » Calcium » PDB 5mop-5n2x » 5mqp
Atomistry »
  Calcium »
    PDB 5mop-5n2x »
      5mqp »

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

Go back to Calcium Binding Sites List in 5mqp
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

Go back to Calcium Binding Sites List in 5mqp
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

Go back to Calcium Binding Sites List in 5mqp
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

Go back to Calcium Binding Sites List in 5mqp
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

Go back to Calcium Binding Sites List in 5mqp
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

Go back to Calcium Binding Sites List in 5mqp
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

Go back to Calcium Binding Sites List in 5mqp
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

Go back to Calcium Binding Sites List in 5mqp
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

Go back to Calcium Binding Sites List in 5mqp
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

Go back to Calcium Binding Sites List in 5mqp
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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy