Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T21507 Target Info
Target Name Fatty acid-binding protein 5 (FABP5)
Synonyms Psoriasis-associated fatty acid-binding protein homolog; PA-FABP; Fatty acid-binding protein, epidermal; Fatty Acid BindingProtein mal1; Epidermal-type fatty acid-binding protein; E-FABP
Target Type Patented-recorded Target
Gene Name FABP5
Biochemical Class Fatty acid binding protein
UniProt ID
FABP5_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Myristic acid Ligand Info
Structure Description Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 PDB:5UR9
Method X-ray diffraction Resolution 2.20 Å Mutation No [1]
PDB Sequence
ATVQQLEGRW
11
RLVDSKGFDE
21
YMKELGVGIA
31
LRKMGAMAKP
41
DCIITCDGKN
51

LTIKTESTLK
61
TTQFSCTLGE
71
KFEETTADGR
81
KTQTVCNFTD
91
GALVQHQEWD
101

GKESTITRKL
111
KDGKLVVECV
121
MNNVTCTRIY
131
EKVE
Residue
Distance (Å)
PHE19
2.890
TYR22
3.051
MET23
2.646
LEU26
3.009
VAL28
3.475
LEU32
3.345
MET35
4.845
GLY36
3.097
ALA39
4.692
PRO41
3.394
THR56
3.523
Residue
Distance (Å)
THR77
4.934
ALA78
3.163
ASP79
2.927
ARG81
3.309
ILE107
3.172
ARG109
4.156
VAL118
3.672
CYS120
2.939
ARG129
2.662
TYR131
2.938
Ligand Name: Linoleic acid Ligand Info
Structure Description Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid PDB:4LKT
Method X-ray diffraction Resolution 2.57 Å Mutation No [2]
PDB Sequence
NAMATVQQLE
8
GRWRLVDSKG
18
FDEYMKELGV
28
GIALRKMGAM
38
AKPDCIITCD
48

GKNLTIKTES
58
TLKTTQFSCT
68
LGEKFEETTA
78
DGRKTQTVCN
88
FTDGALVQHQ
98

EWDGKESTIT
108
RKLKDGKLVV
118
ECVMNNVTCT
128
RIYEKVE
Residue
Distance (Å)
PHE19
4.073
TYR22
4.076
MET23
3.510
LEU26
3.884
VAL28
4.455
LEU32
3.739
MET35
3.844
GLY36
4.029
THR56
4.959
SER58
4.652
LEU60
3.645
Residue
Distance (Å)
LYS61
3.705
ALA78
4.155
ASP79
3.949
ARG81
4.314
ILE107
4.193
ARG109
3.503
VAL118
4.010
CYS120
4.037
ARG129
3.030
TYR131
2.377
Ligand Name: BMS309403 Ligand Info
Structure Description Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413 PDB:4AZM
Method X-ray diffraction Resolution 2.75 Å Mutation No [3]
PDB Sequence
HMATVQQLEG
9
RWRLVDSKGF
19
DEYMKELGVG
29
IALRKMGAMA
39
KPDCIITCDG
49

KNLTIKTEST
59
LKTTQFSCTL
69
GEKFEETTAD
79
GRKTQTVCNF
89
TDGALVQHQE
99

WDGKESTITR
109
KLKDGKLVVE
119
CVMNNVTCTR
129
IYEKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T4B or .T4B2 or .T4B3 or :3T4B;style chemicals stick;color identity;select .A:64 or .A:77 or .A:78 or .A:79 or .A:81 or .A:109 or .A:118 or .A:120 or .A:127 or .A:129 or .A:131; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLN64
3.418
THR77
4.439
ALA78
3.941
ASP79
3.105
ARG81
3.371
ARG109
2.947
Residue
Distance (Å)
VAL118
3.561
CYS120
3.452
CYS127
3.883
ARG129
2.723
TYR131
2.703
Ligand Name: 6-Chloro-4-Phenyl-2-(Piperidin-1-Yl)-3-(1h-Tetrazol-5-Yl)quinoline Ligand Info
Structure Description FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline PDB:5HZ5
Method X-ray diffraction Resolution 1.40 Å Mutation No [4]
PDB Sequence
ATVQQLEGRW
11
RLVDSKGFDE
21
YMKELGVGIA
31
LRKMGAMAKP
41
DCIITCDGKN
51

LTIKTESTLK
61
TTQFSCTLGE
71
KFEETTADGR
81
KTQTVCNFTD
91
GALVQHQEWD
101

GKESTITRKL
111
KDGKLVVECV
121
MNNVTCTRIY
131
EKVE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .65X or .65X2 or .65X3 or :365X;style chemicals stick;color identity;select .A:19 or .A:22 or .A:23 or .A:26 or .A:28 or .A:32 or .A:35 or .A:36 or .A:39 or .A:41 or .A:56 or .A:58 or .A:61 or .A:63 or .A:78 or .A:79 or .A:107 or .A:109 or .A:118 or .A:120 or .A:129 or .A:131; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE19
3.474
TYR22
4.800
MET23
3.998
LEU26
4.279
VAL28
4.241
LEU32
3.625
MET35
3.831
GLY36
4.435
ALA39
3.536
PRO41
3.724
THR56
3.413
Residue
Distance (Å)
SER58
3.731
LYS61
3.836
THR63
4.879
ALA78
3.508
ASP79
3.777
ILE107
3.462
ARG109
3.248
VAL118
3.386
CYS120
3.512
ARG129
3.117
TYR131
2.728
Ligand Name: (1s,2s,3s,4s)-3-{[(Naphthalen-1-Yl)oxy]carbonyl}-2,4-Diphenylcyclobutane-1-Carboxylic Acid Ligand Info
Structure Description Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 PDB:5UR9
Method X-ray diffraction Resolution 2.20 Å Mutation No [1]
PDB Sequence
ATVQQLEGRW
11
RLVDSKGFDE
21
YMKELGVGIA
31
LRKMGAMAKP
41
DCIITCDGKN
51

LTIKTESTLK
61
TTQFSCTLGE
71
KFEETTADGR
81
KTQTVCNFTD
91
GALVQHQEWD
101

GKESTITRKL
111
KDGKLVVECV
121
MNNVTCTRIY
131
EKVE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8KS or .8KS2 or .8KS3 or :38KS;style chemicals stick;color identity;select .A:32 or .A:35 or .A:36 or .A:39 or .A:56 or .A:57 or .A:58 or .A:61 or .A:62 or .A:63 or .A:78 or .A:79 or .A:80; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU32
3.705
MET35
3.808
GLY36
4.334
ALA39
3.818
THR56
3.475
GLU57
4.812
SER58
3.925
Residue
Distance (Å)
LYS61
3.005
THR62
3.314
THR63
3.587
ALA78
3.218
ASP79
3.773
GLY80
4.733
Ligand Name: N-(2-hydroxyethyl)icosanamide Ligand Info
Structure Description Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide PDB:4AZR
Method X-ray diffraction Resolution 2.95 Å Mutation No [3]
PDB Sequence
HMATVQQLEG
9
RWRLVDSKGF
19
DEYMKELGVG
29
IALRKMGAMA
39
KPDCIITCDG
49

KNLTIKTEST
59
VKTTQFSCTL
69
GEKFEETTAD
79
GRKTQTVCNF
89
TDGALVQHQE
99

WDGKESTITR
109
KLKDGKLVVE
119
CVMNNVTCTR
129
IYEKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A9M or .A9M2 or .A9M3 or :3A9M;style chemicals stick;color identity;select .A:35 or .A:64 or .A:78 or .A:79 or .A:81 or .A:107 or .A:109 or .A:118 or .A:120 or .A:129 or .A:131; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
MET35
4.229
GLN64
4.026
ALA78
3.860
ASP79
3.712
ARG81
4.339
ILE107
4.381
Residue
Distance (Å)
ARG109
2.717
VAL118
3.763
CYS120
3.762
ARG129
3.376
TYR131
2.409
References  Top
REF 1 The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites. Biochemistry. 2017 Jul 11;56(27):3454-3462.
REF 2 Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor beta/Delta (FABP5-PPARbeta/Delta) signaling pathway. J Biol Chem. 2014 May 23;289(21):14941-54.
REF 3 Crystallographic study of FABP5 as an intracellular endocannabinoid transporter. Acta Crystallogr D Biol Crystallogr. 2014 Feb;70(Pt 2):290-8.
REF 4 Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett. 2016 Oct 15;26(20):5092-7.

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