Structure of PDB 6alj Chain C
Receptor sequence
>6aljC (length=492) Species:
9606
(Homo sapiens) [
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PSPTPNLEIKYTKIFINNEWQNSESGRVFPVYNPATGEQVCEVQEADKAD
IDKAVQAARLAFSLGSVWRRMDASERGRLLDKLADLVERDRAVLATMESL
NGGKPFLQAFYVDLQGVIKTFRYYAGWADKIHGMTIPVDGDYFTFTRHEP
IGVCGQIIPWNFPLLMFAWKIAPALCCGNTVVIKPAEQTPLSALYMGALI
KEAGFPPGVINILPGYGPTAGAAIASHIGIDKIAFTGSTEVGKLIQEAAG
RSNLKRVTLELGGKSPNIIFADADLDYAVEQAHQGVFFNQGQCCTAGSRI
FVEESIYEEFVRRSVERAKRRVVGSPFDPTTEQGPQIDKKQYNKILELIQ
SGVAEGAKLECGGKGLGRKGFFIEPTVFSNVTDDMRIAKEEIFGPVQEIL
RFKTMDEVIERANNSDFGLVAAVFTNDINKALTVSSAMQAGTVWINCYNA
LNAQSPFGGFKMSGNGREMGEFGLREYSEVKTVTVKIPQKNS
3D structure
PDB
6alj
Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
Chain
C
Resolution
1.89 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB)
N187 E286 C320 E494
Catalytic site (residue number reindexed from 1)
N161 E260 C294 E468
Enzyme Commision number
1.2.1.36
: retinal dehydrogenase.
Interaction with ligand
Site
#
Ligand
Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01
NAD
C
I183 I184 P185 W186 N187 K210 G243 G247 F261 G263 S264 V267 E286 Q367 K370 E417 F419
I157 I158 P159 W160 N161 K184 G217 G221 F235 G237 S238 V241 E260 Q341 K344 E391 F393
BS02
CW2
C
G142 F188 L191 M192 W195 E286 C319 C320 L477 N478 A479
G116 F162 L165 M166 W169 E260 C293 C294 L451 N452 A453
BindingDB: Ki=56nM
Gene Ontology
Molecular Function
GO:0001758
retinal dehydrogenase activity
GO:0004028
3-chloroallyl aldehyde dehydrogenase activity
GO:0004029
aldehyde dehydrogenase (NAD+) activity
GO:0016491
oxidoreductase activity
GO:0016620
oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0016918
retinal binding
Biological Process
GO:0001568
blood vessel development
GO:0001822
kidney development
GO:0001889
liver development
GO:0002138
retinoic acid biosynthetic process
GO:0003007
heart morphogenesis
GO:0006629
lipid metabolic process
GO:0006776
vitamin A metabolic process
GO:0007494
midgut development
GO:0008283
cell population proliferation
GO:0008284
positive regulation of cell population proliferation
GO:0008285
negative regulation of cell population proliferation
GO:0009855
determination of bilateral symmetry
GO:0009952
anterior/posterior pattern specification
GO:0009954
proximal/distal pattern formation
GO:0010628
positive regulation of gene expression
GO:0014032
neural crest cell development
GO:0016331
morphogenesis of embryonic epithelium
GO:0021915
neural tube development
GO:0021983
pituitary gland development
GO:0030182
neuron differentiation
GO:0030324
lung development
GO:0030326
embryonic limb morphogenesis
GO:0030900
forebrain development
GO:0030902
hindbrain development
GO:0031016
pancreas development
GO:0031076
embryonic camera-type eye development
GO:0032355
response to estradiol
GO:0032526
response to retinoic acid
GO:0033189
response to vitamin A
GO:0034097
response to cytokine
GO:0035115
embryonic forelimb morphogenesis
GO:0035799
ureter maturation
GO:0042572
retinol metabolic process
GO:0042573
retinoic acid metabolic process
GO:0042574
retinal metabolic process
GO:0042904
9-cis-retinoic acid biosynthetic process
GO:0043010
camera-type eye development
GO:0043065
positive regulation of apoptotic process
GO:0048384
retinoic acid receptor signaling pathway
GO:0048566
embryonic digestive tract development
GO:0048738
cardiac muscle tissue development
GO:0051289
protein homotetramerization
GO:0060324
face development
GO:0071300
cellular response to retinoic acid
GO:1905562
regulation of vascular endothelial cell proliferation
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0048471
perinuclear region of cytoplasm
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:6alj
,
PDBe:6alj
,
PDBj:6alj
PDBsum
6alj
PubMed
29240402
UniProt
O94788
|AL1A2_HUMAN Retinal dehydrogenase 2 (Gene Name=ALDH1A2)
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