Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T59445 Target Info
Target Name Sorbitoldehydrogenase (SORD)
Synonyms SORD; SDH; L-iditol2-dehydrogenase
Target Type Literature-reported Target
Gene Name SORD
Biochemical Class Short-chain dehydrogenases reductase
UniProt ID
DHSO_HUMAN
Ligand General Information  Top
Ligand Name Nicotinamide-Adenine-Dinucleotide Ligand Info
Canonical SMILES C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
InChI 1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey BAWFJGJZGIEFAR-NNYOXOHSSA-N
PubChem Compound ID 5892
Drug Binding Sites of Target  Top
PDB ID: 1PL8      human SDH/NAD+ complex
Method X-ray diffraction Resolution 1.90 Å Mutation No [1]
PDB Sequence
AAAAKPNNLS
10
LVVHGPGDLR
20
LENYPIPEPG
30
PNEVLLRMHS
40
VGICGSDVHY
50

WEYGRIGNFI
60
VKKPMVLGHE
70
ASGTVEKVGS
80
SVKHLKPGDR
90
VAIEPGAPRE
100

NDEFCKMGRY
110
NLSPSIFFCA
120
TPPDDGNLCR
130
FYKHNAAFCY
140
KLPDNVTFEE
150

GALIEPLSVG
160
IHACRRGGVT
170
LGHKVLVCGA
180
GPIGMVTLLV
190
AKAMGAAQVV
200

VTDLSATRLS
210
KAKEIGADLV
220
LQISKESPQE
230
IARKVEGQLG
240
CKPEVTIECT
250

GAEASIQAGI
260
YATRSGGTLV
270
LVGLGSEMTT
280
VPLLHAAIRE
290
VDIKGVFRYC
300

NTWPVAISML
310
ASKSVNVKPL
320
VTHRFPLEKA
330
LEAFETFKKG
340
LGLKIMLKCD
350

PSDQNP
Residue
Distance (Å)
VAL159
4.070
CYS178
4.961
GLY179
3.907
ALA180
4.066
GLY181
3.274
PRO182
3.283
ILE183
3.018
GLY184
4.174
THR202
3.842
ASP203
2.505
LEU204
3.676
SER205
4.419
ARG208
2.805
Residue
Distance (Å)
ILE223
3.841
CYS249
3.124
THR250
3.361
GLY251
4.697
ALA252
3.809
ALA254
4.759
SER255
4.107
VAL272
3.077
GLY273
3.456
LEU274
2.935
VAL296
2.828
PHE297
3.609
ARG298
2.565
PDB ID: 1PL6      Human SDH/NADH/inhibitor complex
Method X-ray diffraction Resolution 2.00 Å Mutation Yes [1]
PDB Sequence
AAAAKPNNLS
10
LVVHGPGDLR
20
LENYPIPEPG
30
PNEVLLRHSV
41
GICGSDVHYW
51

EYGRIGNFIV
61
KKPVLGHEAS
72
GTVEKVGSSV
82
KHLKPGDRVA
92
IEPGAPREND
102

EFCKGRYNLS
113
PSIFFCATPP
123
DDGNLCRFYK
133
HNAAFCYKLP
143
DNVTFEEGAL
153

IEPLSVGIHA
163
CRRGGVTLGH
173
KVLVCGAGPI
183
GVTLLVAKAG
195
AAQVVVTDLS
205

ATRLSKAKEI
215
GADLVLQISK
225
ESPQEIARKV
235
EGQLGCKPEV
245
TIECTGAEAS
255

IQAGIYATRS
265
GGTLVLVGLG
275
SETTVPLLHA
286
AIREVDIKGV
296
FRYCNTWPVA
306

ISLASKSVNV
317
KPLVTHRFPL
327
EKALEAFETF
337
KKGLGLKILK
348
CDPSDQNP
Residue
Distance (Å)
VAL159
3.884
GLY179
4.040
ALA180
4.116
GLY181
3.332
PRO182
3.317
ILE183
3.007
GLY184
4.197
THR202
3.851
ASP203
2.526
LEU204
3.773
SER205
4.487
ARG208
2.761
ILE223
3.823
Residue
Distance (Å)
CYS249
3.120
THR250
3.445
GLY251
4.906
ALA252
3.859
ALA254
4.784
SER255
4.105
VAL272
3.035
GLY273
3.442
LEU274
3.070
VAL296
2.963
PHE297
3.616
ARG298
2.598
References  Top
REF 1 X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure. 2003 Sep;11(9):1071-85.

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