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Calcium in PDB 5vh2: Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D

Protein crystallography data

The structure of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D, PDB code: 5vh2 was solved by D.J.Termine, A.Jaiganesh, M.Sotomayor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.99 / 2.84
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 43.738, 47.210, 113.044, 89.95, 90.02, 115.76
R / Rfree (%) 23.8 / 27.2

Other elements in 5vh2:

The structure of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D (pdb code 5vh2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D, PDB code: 5vh2:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 5vh2

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Calcium binding site 1 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1401

b:26.8
occ:1.00
OD2 A:ASP1214 2.1 28.4 1.0
OD2 A:ASP1264 2.1 25.7 1.0
O A:GLU1181 2.2 26.4 1.0
O A:GLY1218 2.6 27.2 1.0
OD2 A:ASP1212 2.9 25.6 1.0
OD1 A:ASP1212 3.2 27.0 1.0
CG A:ASP1214 3.2 29.2 1.0
CG A:ASP1264 3.3 25.2 1.0
CG A:ASP1212 3.4 26.1 1.0
C A:GLU1181 3.4 26.3 1.0
C A:GLY1218 3.6 27.9 1.0
ND2 A:ASN1270 3.8 25.7 1.0
CB A:ASP1264 3.8 25.0 1.0
CB A:ASP1214 3.9 29.6 1.0
N A:GLU1181 4.0 28.3 1.0
OD1 A:ASP1214 4.1 29.8 1.0
CA A:GLY1218 4.2 28.5 1.0
OD1 A:ASP1264 4.3 24.9 1.0
CA A:GLU1181 4.3 27.3 1.0
N A:ALA1182 4.4 25.4 1.0
CA A:ALA1182 4.5 24.5 1.0
N A:ASP1180 4.7 29.5 1.0
N A:GLY1219 4.7 28.1 1.0
C A:ASN1179 4.9 28.7 1.0
CG A:ASN1270 4.9 24.9 1.0
CG A:GLU1181 4.9 27.7 1.0
CB A:ASP1212 4.9 25.8 1.0

Calcium binding site 2 out of 10 in 5vh2

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Calcium binding site 2 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1402

b:27.4
occ:1.00
OD1 A:ASN1282 2.2 27.0 1.0
OE2 A:GLU1197 2.2 26.0 1.0
O A:GLU1283 2.3 27.8 1.0
OD1 A:ASP1318 2.4 32.4 1.0
OD1 A:ASP1285 2.5 35.6 1.0
OE1 A:GLU1251 2.7 27.6 1.0
OE2 A:GLU1251 2.8 27.0 1.0
CD A:GLU1251 3.1 27.4 1.0
CD A:GLU1197 3.3 25.4 1.0
CG A:ASN1282 3.4 26.9 1.0
CA A:CA1403 3.5 27.0 1.0
C A:GLU1283 3.5 27.8 1.0
CG A:ASP1285 3.6 37.1 1.0
CG A:ASP1318 3.6 31.3 1.0
N A:GLU1283 3.6 26.4 1.0
OE1 A:GLU1197 3.8 25.3 1.0
OD2 A:ASP1285 4.1 38.3 1.0
N A:ASP1285 4.2 35.3 1.0
ND2 A:ASN1282 4.2 27.7 1.0
CB A:ASP1318 4.2 30.5 1.0
CA A:GLU1283 4.2 27.0 1.0
CG A:GLU1286 4.2 32.2 1.0
C A:ASN1282 4.4 26.1 1.0
CA A:ASN1282 4.4 25.6 1.0
CB A:TYR1250 4.4 24.6 1.0
CB A:ASN1282 4.5 26.1 1.0
N A:LEU1284 4.5 28.6 1.0
CG A:GLU1251 4.6 27.6 1.0
CA A:ASP1318 4.6 29.4 1.0
CG A:GLU1197 4.6 24.8 1.0
OD2 A:ASP1318 4.7 30.9 1.0
CB A:ASP1285 4.7 37.7 1.0
CA A:LEU1284 4.7 29.6 1.0
CA A:ASP1285 4.9 36.0 1.0
CD2 A:TYR1250 4.9 25.4 1.0
C A:LEU1284 5.0 29.7 1.0

Calcium binding site 3 out of 10 in 5vh2

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Calcium binding site 3 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1403

b:27.0
occ:1.00
OE2 A:GLU1251 2.0 27.0 1.0
OE1 A:GLU1286 2.3 34.3 1.0
OD1 A:ASP1249 2.5 25.9 1.0
OD2 A:ASP1285 2.6 38.3 1.0
OD1 A:ASP1285 2.6 35.6 1.0
OE1 A:GLU1197 2.7 25.3 1.0
CG A:ASP1285 2.9 37.1 1.0
CD A:GLU1251 3.2 27.4 1.0
CD A:GLU1286 3.2 33.1 1.0
CG A:GLU1286 3.3 32.2 1.0
CD A:GLU1197 3.4 25.4 1.0
CA A:CA1402 3.5 27.4 1.0
OE2 A:GLU1197 3.5 26.0 1.0
CG A:ASP1249 3.7 25.6 1.0
CG A:GLU1251 4.0 27.6 1.0
OE1 A:GLU1251 4.0 27.6 1.0
CB A:GLU1251 4.1 26.9 1.0
N A:GLU1251 4.2 25.3 1.0
OE2 A:GLU1286 4.3 32.7 1.0
N A:TYR1250 4.4 24.2 1.0
OD2 A:ASP1249 4.4 26.1 1.0
CB A:ASP1285 4.4 37.7 1.0
OD1 A:ASP1318 4.6 32.4 1.0
CA A:ASP1249 4.6 24.2 1.0
O A:ASP1285 4.7 35.2 1.0
CB A:ASP1249 4.7 24.7 1.0
CB A:GLU1286 4.7 31.0 1.0
CG A:GLU1197 4.8 24.8 1.0
C A:ASP1285 4.8 34.6 1.0
CA A:GLU1251 4.8 25.9 1.0
C A:ASP1249 4.9 23.9 1.0
CB A:TYR1250 4.9 24.6 1.0

Calcium binding site 4 out of 10 in 5vh2

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Calcium binding site 4 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1401

b:21.6
occ:1.00
O B:GLY1218 2.0 21.1 1.0
OD2 B:ASP1212 2.3 21.1 1.0
OD2 B:ASP1264 2.4 21.0 1.0
O B:GLU1181 2.4 22.3 1.0
OD2 B:ASP1214 2.5 22.6 1.0
OD1 B:ASP1212 2.5 22.0 1.0
CG B:ASP1212 2.8 21.5 1.0
CG B:ASP1214 3.1 22.9 1.0
C B:GLY1218 3.2 21.1 1.0
CG B:ASP1264 3.4 20.5 1.0
CB B:ASP1264 3.6 20.2 1.0
C B:GLU1181 3.6 22.7 1.0
CB B:ASP1214 3.6 22.6 1.0
OD1 B:ASP1214 3.9 23.4 1.0
CA B:GLY1218 3.9 21.1 1.0
CB B:ASN1179 4.2 22.4 1.0
N B:GLY1219 4.2 21.1 1.0
CB B:ASP1212 4.2 21.2 1.0
ND2 B:ASN1179 4.3 22.4 1.0
N B:GLU1181 4.3 23.7 1.0
CA B:GLY1219 4.4 21.1 1.0
CA B:GLU1181 4.5 23.5 1.0
OD1 B:ASP1264 4.5 20.3 1.0
N B:ALA1182 4.5 22.6 1.0
ND2 B:ASN1270 4.5 21.8 1.0
CA B:ALA1182 4.6 22.0 1.0
CG B:GLU1181 4.7 23.5 1.0
CG B:ASN1179 4.7 22.4 1.0
N B:ASP1214 4.9 23.0 1.0
CA B:ASP1214 4.9 23.1 1.0

Calcium binding site 5 out of 10 in 5vh2

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Calcium binding site 5 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1402

b:19.6
occ:1.00
OD1 B:ASP1249 2.2 19.5 1.0
OD2 B:ASP1285 2.2 38.2 1.0
OE1 B:GLU1197 2.4 19.0 1.0
OE2 B:GLU1251 2.7 19.6 1.0
OE1 B:GLU1286 2.7 36.8 1.0
CG B:ASP1285 3.0 36.3 1.0
OD1 B:ASP1285 3.0 35.2 1.0
CD B:GLU1197 3.3 19.0 1.0
CG B:ASP1249 3.3 19.5 1.0
OE2 B:GLU1197 3.6 19.1 1.0
CD B:GLU1286 3.7 34.9 1.0
CD B:GLU1251 3.9 19.6 1.0
CA B:ASP1249 4.0 18.9 1.0
CA B:CA1403 4.0 19.5 1.0
N B:TYR1250 4.0 18.8 1.0
CG B:GLU1286 4.1 33.4 1.0
OD2 B:ASP1249 4.1 19.8 1.0
CB B:ASP1249 4.1 19.2 1.0
N B:GLU1251 4.4 19.2 1.0
CB B:ASP1285 4.4 35.4 1.0
C B:ASP1249 4.4 18.8 1.0
CG B:GLU1197 4.5 18.8 1.0
CB B:GLU1251 4.6 19.9 1.0
CG B:GLU1251 4.7 19.9 1.0
OE2 B:GLU1286 4.8 34.3 1.0
OE1 B:GLU1251 4.8 19.6 1.0
O B:LEU1248 4.9 18.9 1.0
O B:ASP1285 4.9 33.8 1.0
CB B:TYR1250 5.0 18.8 1.0
CA B:TYR1250 5.0 18.8 1.0

Calcium binding site 6 out of 10 in 5vh2

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Calcium binding site 6 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1403

b:19.5
occ:1.00
OD1 B:ASN1282 2.2 19.2 1.0
OD1 B:ASP1318 2.3 31.8 1.0
OE2 B:GLU1197 2.4 19.1 1.0
OD1 B:ASP1285 2.5 35.2 1.0
O B:GLU1283 2.5 19.6 1.0
OE1 B:GLU1251 2.5 19.6 1.0
OE2 B:GLU1251 2.6 19.6 1.0
CD B:GLU1251 2.9 19.6 1.0
CG B:ASN1282 3.4 19.1 1.0
CD B:GLU1197 3.5 19.0 1.0
CG B:ASP1318 3.5 30.3 1.0
CG B:ASP1285 3.6 36.3 1.0
C B:GLU1283 3.7 19.6 1.0
N B:GLU1283 3.9 19.1 1.0
OE1 B:GLU1197 3.9 19.0 1.0
CA B:CA1402 4.0 19.6 1.0
CG B:GLU1286 4.0 33.4 1.0
CB B:ASP1318 4.1 29.7 1.0
OD2 B:ASP1285 4.2 38.2 1.0
ND2 B:ASN1282 4.2 19.2 1.0
N B:ASP1285 4.2 32.2 1.0
CG B:GLU1251 4.4 19.9 1.0
CA B:GLU1283 4.4 19.3 1.0
CA B:ASP1318 4.4 30.1 1.0
CB B:TYR1250 4.5 18.8 1.0
OD2 B:ASP1318 4.5 29.3 1.0
CA B:ASN1282 4.6 18.8 1.0
CB B:ASN1282 4.6 18.9 1.0
C B:ASN1282 4.6 18.9 1.0
N B:LEU1284 4.7 19.8 1.0
CB B:ASP1285 4.7 35.4 1.0
CG B:GLU1197 4.8 18.8 1.0
CA B:LEU1284 4.8 20.2 1.0
CD2 B:TYR1250 4.9 18.9 1.0
CB B:GLU1286 4.9 31.5 1.0
CA B:ASP1285 4.9 33.1 1.0
N B:GLU1286 5.0 31.3 1.0
OE1 B:GLU1286 5.0 36.8 1.0

Calcium binding site 7 out of 10 in 5vh2

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Calcium binding site 7 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1401

b:16.9
occ:1.00
OE1 C:GLU1286 2.2 16.5 1.0
OD1 C:ASP1249 2.3 17.0 1.0
OE2 C:GLU1251 2.4 17.2 1.0
OD2 C:ASP1285 2.4 19.2 1.0
OE1 C:GLU1197 2.8 15.9 1.0
OD1 C:ASP1285 2.9 18.2 1.0
CG C:ASP1285 3.0 19.1 1.0
CD C:GLU1286 3.2 16.3 1.0
CG C:ASP1249 3.4 17.1 1.0
CG C:GLU1286 3.6 16.1 1.0
CD C:GLU1251 3.6 17.7 1.0
CD C:GLU1197 3.6 15.7 1.0
OE2 C:GLU1197 3.8 15.9 1.0
CA C:CA1402 3.9 16.9 1.0
OD2 C:ASP1249 4.1 17.7 1.0
CB C:GLU1251 4.2 18.2 1.0
CG C:GLU1251 4.3 18.4 1.0
OE2 C:GLU1286 4.3 16.3 1.0
N C:GLU1251 4.3 17.2 1.0
N C:TYR1250 4.4 16.1 1.0
CB C:ASP1249 4.4 16.7 1.0
CB C:ASP1285 4.4 20.1 1.0
CA C:ASP1249 4.4 16.1 1.0
OE1 C:GLU1251 4.5 17.7 1.0
O C:ASP1285 4.7 18.8 1.0
C C:ASP1249 4.8 16.2 1.0
CG C:GLU1197 4.9 15.2 1.0
C C:ASP1285 4.9 18.6 1.0
CA C:GLU1251 4.9 17.9 1.0

Calcium binding site 8 out of 10 in 5vh2

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Calcium binding site 8 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1402

b:16.9
occ:1.00
OD1 C:ASP1318 2.1 16.9 1.0
OD1 C:ASN1282 2.3 16.8 1.0
O C:GLU1283 2.4 16.3 1.0
OD1 C:ASP1285 2.4 18.2 1.0
OE1 C:GLU1251 2.5 17.7 1.0
OE2 C:GLU1197 2.7 15.9 1.0
OE2 C:GLU1251 2.7 17.2 1.0
CD C:GLU1251 2.9 17.7 1.0
CG C:ASP1318 3.3 16.7 1.0
CG C:ASN1282 3.5 16.9 1.0
CG C:ASP1285 3.6 19.1 1.0
C C:GLU1283 3.6 16.0 1.0
CD C:GLU1197 3.7 15.7 1.0
CG C:GLU1286 3.9 16.1 1.0
CA C:CA1401 3.9 16.9 1.0
N C:GLU1283 3.9 15.7 1.0
CB C:ASP1318 4.0 16.4 1.0
N C:ASP1285 4.0 19.4 1.0
OE1 C:GLU1197 4.1 15.9 1.0
ND2 C:ASN1282 4.2 17.5 1.0
OD2 C:ASP1285 4.2 19.2 1.0
CA C:ASP1318 4.3 15.5 1.0
OD2 C:ASP1318 4.4 16.9 1.0
CG C:GLU1251 4.4 18.4 1.0
CA C:GLU1283 4.4 15.6 1.0
N C:LEU1284 4.6 16.1 1.0
C C:ASN1282 4.7 15.8 1.0
CA C:ASN1282 4.7 15.9 1.0
CB C:ASP1285 4.7 20.1 1.0
CB C:ASN1282 4.7 16.5 1.0
CA C:LEU1284 4.7 16.5 1.0
CB C:TYR1250 4.7 16.2 1.0
CA C:ASP1285 4.8 19.7 1.0
CB C:GLU1286 4.8 16.0 1.0
N C:GLU1286 4.8 17.8 1.0
C C:LEU1284 4.9 16.4 1.0
O C:ASP1318 4.9 15.9 1.0
OE1 C:GLU1286 4.9 16.5 1.0
C C:ASP1285 5.0 18.6 1.0
CD C:GLU1286 5.0 16.3 1.0

Calcium binding site 9 out of 10 in 5vh2

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Calcium binding site 9 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1401

b:22.8
occ:1.00
O D:GLU1283 2.2 22.6 1.0
OD1 D:ASP1318 2.3 30.5 1.0
OD1 D:ASN1282 2.3 21.9 1.0
OD1 D:ASP1285 2.3 31.9 1.0
OE2 D:GLU1197 2.4 22.2 1.0
OE1 D:GLU1251 2.7 23.1 1.0
OE2 D:GLU1251 2.8 23.4 1.0
CD D:GLU1251 3.1 23.4 1.0
C D:GLU1283 3.4 22.5 1.0
CG D:ASP1285 3.4 32.5 1.0
CD D:GLU1197 3.5 22.2 1.0
CG D:ASP1318 3.5 29.9 1.0
CG D:ASN1282 3.5 21.6 1.0
N D:GLU1283 3.7 21.6 1.0
OE1 D:GLU1197 3.9 22.5 1.0
N D:ASP1285 4.0 31.4 1.0
CA D:CA1402 4.0 23.9 1.0
CG D:GLU1286 4.1 30.5 1.0
OD2 D:ASP1285 4.1 33.1 1.0
CB D:ASP1318 4.1 29.6 1.0
CA D:GLU1283 4.2 22.0 1.0
ND2 D:ASN1282 4.3 21.9 1.0
N D:LEU1284 4.5 22.9 1.0
C D:ASN1282 4.5 21.3 1.0
CA D:ASP1318 4.5 29.3 1.0
OD2 D:ASP1318 4.5 29.6 1.0
CA D:ASN1282 4.5 21.1 1.0
CB D:ASP1285 4.5 32.5 1.0
CG D:GLU1251 4.6 24.2 1.0
CB D:ASN1282 4.6 21.2 1.0
CA D:LEU1284 4.6 23.4 1.0
CB D:TYR1250 4.6 21.5 1.0
CA D:ASP1285 4.7 31.6 1.0
CG D:GLU1197 4.7 22.0 1.0
C D:LEU1284 4.8 24.1 1.0
N D:GLU1286 4.9 30.4 1.0
CB D:GLU1286 4.9 29.8 1.0
C D:ASP1285 4.9 31.1 1.0

Calcium binding site 10 out of 10 in 5vh2

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Calcium binding site 10 out of 10 in the Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1402

b:23.9
occ:1.00
OD2 D:ASP1285 2.2 33.1 1.0
OD1 D:ASP1249 2.3 23.9 1.0
OE1 D:GLU1197 2.4 22.5 1.0
OE1 D:GLU1286 2.7 31.5 1.0
OE2 D:GLU1251 2.7 23.4 1.0
CG D:ASP1285 2.9 32.5 1.0
OD1 D:ASP1285 3.0 31.9 1.0
CD D:GLU1197 3.2 22.2 1.0
CG D:ASP1249 3.4 24.3 1.0
OE2 D:GLU1197 3.6 22.2 1.0
CD D:GLU1286 3.7 30.9 1.0
CD D:GLU1251 4.0 23.4 1.0
CA D:CA1401 4.0 22.8 1.0
CG D:GLU1286 4.1 30.5 1.0
CA D:ASP1249 4.1 22.9 1.0
N D:TYR1250 4.2 22.0 1.0
OD2 D:ASP1249 4.2 25.2 1.0
CB D:ASP1249 4.2 23.8 1.0
CB D:ASP1285 4.3 32.5 1.0
CG D:GLU1197 4.4 22.0 1.0
N D:GLU1251 4.5 22.8 1.0
C D:ASP1249 4.5 22.3 1.0
CB D:GLU1251 4.7 24.3 1.0
CG D:GLU1251 4.8 24.2 1.0
OE2 D:GLU1286 4.8 30.6 1.0
OE1 D:GLU1251 4.8 23.1 1.0
O D:ASP1285 4.9 31.4 1.0

Reference:

A.Jaiganesh, P.De-La-Torre, A.A.Patel, D.J.Termine, F.Velez-Cortes, C.Chen, M.Sotomayor. Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure V. 26 1210 2018.
ISSN: ISSN 1878-4186
PubMed: 30033219
DOI: 10.1016/J.STR.2018.06.003
Page generated: Mon Jul 15 12:26:55 2024

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