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 T02587 Target Info
Target Name Pyridoxal phosphate phosphatase (PDXP)
Synonyms PLPP; PLP phosphatase; PDXP
Target Type Literature-reported Target
Gene Name PDXP
Biochemical Class Phosphoric monoester hydrolase
UniProt ID
PLPP_HUMAN
Ligand General Information  Top
Ligand Name Pyridoxal phosphate Ligand Info
Canonical SMILES CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O
InChI 1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKey NGVDGCNFYWLIFO-UHFFFAOYSA-N
PubChem Compound ID 1051
Drug Binding Sites of Target  Top
PDB ID: 2CFT      Crystal structure of human pyridoxal 5'-phosphate phosphatase with its substrate
Method X-ray diffraction Resolution 1.80 Å Mutation No [1]
PDB Sequence
MARCERLRGA
10
ALRDVLGRAQ
20
GVLFDCDGVL
30
WNGERAVPGA
40
PELLERLARA
50

GKAALFVSNN
60
SRRARPELAL
70
RFARLGFGGL
80
RAEQLFSSAL
90
CAARLLRQRL
100

PGPPDGAVFV
112
LGGEGLRAEL
122
RAAGLRLAGD
132
PSAGDGAAPR
142
VRAVLVGYDE
152

HFSFAKLREA
162
CAHLRDPECL
172
LVATDRDPWH
182
PLSDGSRTPG
192
TGSLAAAVET
202

ASGRQALVVG
212
KPSPYMFECI
222
TENFSIDPAR
232
TLMVGDRLET
242
DILFGHRCGM
252

TTVLTLTGVS
262
RLEEAQAYLA
272
AGQHDLVPHY
282
YVESIADLTE
292
GLE
Residue
Distance (Å)
ASP25
3.103
CYS26
3.429
ASP27
2.985
VAL57
4.409
SER58
2.632
ASN59
2.843
ASN60
3.321
SER61
4.302
Residue
Distance (Å)
ARG62
4.541
TYR150
3.265
ASP179
4.095
HIS182
3.310
THR190
4.988
LYS213
2.899
ASP238
4.538
PDB ID: 2P69      Crystal Structure of Human Pyridoxal Phosphate Phosphatase with PLP
Method X-ray diffraction Resolution 2.25 Å Mutation No [2]
PDB Sequence
SLARCERLRG
9
AALRDVLGRA
19
QGVLFDCDGV
29
LWNGERAVPG
39
APELLERLAR
49

AGKAALFVSN
59
NSRRARPELA
69
LRFARLGFGG
79
LRAEQLFSSA
89
LCAARLLRQR
99

LPGPPAVFVL
113
GGEGLRAELR
123
AAGLRLAGDP
133
SAGAPRVRAV
146
LVGYDEHFSF
156

AKLREACAHL
166
RDPECLLVAT
176
DRDPWHPLSD
186
GSRTPGTGSL
196
AAAVETASGR
206

QALVVGKPSP
216
YFECITENFS
227
IDPARTLVGD
238
RLETDILFGH
248
RCGTTVLTLT
259

GVSRLEEAQA
269
YLAAGQHDLV
279
PHYYVESIAD
289
LTEGL
Residue
Distance (Å)
ASP25
3.051
CYS26
3.563
ASP27
3.211
VAL57
4.299
SER58
2.634
ASN59
2.907
ASN60
3.381
SER61
4.343
Residue
Distance (Å)
ARG62
3.949
TYR150
3.443
ASP177
4.690
ASP179
3.596
HIS182
3.157
LYS213
2.600
ASP238
4.576
ASP243
4.712
References  Top
REF 1 Crystal Structure of Human Pyridoxal 5-Phosphate Phosphatase
REF 2 Structural genomics of protein phosphatases. J Struct Funct Genomics. 2007 Sep;8(2-3):121-40.

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