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 T51284 Target Info
Target Name Bacterial Pyridoxal phosphate biosynthetic pdxJ (Bact pdxJ)
Synonyms pdxJ; Pyridoxine 5'-phosphate synthase; PNP synthase
Target Type Literature-reported Target
Gene Name Bact pdxJ
UniProt ID
PDXJ_ECOLI
Ligand General Information  Top
Ligand Name sn-Glycerol 3-phosphate Ligand Info
Canonical SMILES C(C(COP(=O)(O)O)O)O
InChI 1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
InChIKey AWUCVROLDVIAJX-GSVOUGTGSA-N
PubChem Compound ID 439162
Drug Binding Sites of Target  Top
PDB ID: 1IXN      Enzyme-Substrate Complex of Pyridoxine 5'-Phosphate Synthase
Method X-ray diffraction Resolution 2.30 Å Mutation No [1]
PDB Sequence
AELLLGVNID
11
HIATLRNARG
21
TAYPDPVQAA
31
FIAEQAGADG
41
ITVHLREDRR
51

HITDRDVRIL
61
RQTLDTRMNL
71
EMAVTEEMLA
81
IAVETKPHFC
91
CLVPEKRQEV
101

TTEGGLDVAG
111
QRDKMRDACK
121
RLADAGIQVS
131
LFIDADEEQI
141
KAAAEVGAPF
151

IEIHTGCYAD
161
AKTDAEQAQE
171
LARIAKAATF
181
AASLGLKVNA
191
GHGLTYHNVK
201

AIAAIPEMHE
211
LNIGHAIIGR
221
AVMTGLKDAV
231
AEMKRLMLEA
241
RG
Residue
Distance (Å)
ASN9
2.796
HIS12
4.733
THR43
4.279
GLU72
2.380
PHE133
4.862
GLU153
3.050
GLY192
4.076
HIS193
2.905
Residue
Distance (Å)
GLY194
2.746
LEU195
4.573
ASN213
3.005
ILE214
3.785
GLY215
2.876
HIS216
2.850
ALA217
4.713
PDB ID: 1IXO      Enzyme-analogue substrate complex of Pyridoxine 5'-Phosphate Synthase
Method X-ray diffraction Resolution 2.30 Å Mutation No [1]
PDB Sequence
AELLLGVNID
11
HIATLRNARG
21
TAYPDPVQAA
31
FIAEQAGADG
41
ITVHLREDRR
51

HITDRDVRIL
61
RQTLDTRMNL
71
EMAVTEEMLA
81
IAVETKPHFC
91
CLVPEEGGLD
108

VAGQRDKMRD
118
ACKRLADAGI
128
QVSLFIDADE
138
EQIKAAAEVG
148
APFIEIHTGC
158

YADAKTDAEQ
168
AQELARIAKA
178
ATFAASLGLK
188
VNAGHGLTYH
198
NVKAIAAIPE
208

MHELNIGHAI
218
IGRAVMTGLK
228
DAVAEMKRLM
238
LEARG
Residue
Distance (Å)
ASN9
3.051
THR43
3.233
ASN70
4.918
GLU72
3.021
GLU153
4.099
GLY192
4.804
HIS193
3.134
Residue
Distance (Å)
GLY194
2.796
LEU195
4.380
ASN213
3.483
ILE214
3.543
GLY215
2.755
HIS216
2.704
ALA217
4.876
References  Top
REF 1 Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis. J Mol Biol. 2002 Aug 23;321(4):601-12.

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