Structure of PDB 6b5i Chain C

Receptor sequence

>6b5iC (length=492) Species: 9606 (Homo sapiens) [Search protein sequence]

PSPTPNLEIKYTKIFINNEWQNSESGRVFPVYNPATGEQVCEVQEADKAD
IDKAVQAARLAFSLGSVWRRMDASERGRLLDKLADLVERDRAVLATMESL
NGGKPFLQAFYVDLQGVIKTFRYYAGWADKIHGMTIPVDGDYFTFTRHEP
IGVCGQIIPWNFPLLMFAWKIAPALCCGNTVVIKPAEQTPLSALYMGALI
KEAGFPPGVINILPGYGPTAGAAIASHIGIDKIAFTGSTEVGKLIQEAAG
RSNLKRVTLELGGKSPNIIFADADLDYAVEQAHQGVFFNQGQCCTAGSRI
FVEESIYEEFVRRSVERAKRRVVGSPFDPTTEQGPQIDKKQYNKILELIQ
SGVAEGAKLECGGKGLGRKGFFIEPTVFSNVTDDMRIAKEEIFGPVQEIL
RFKTMDEVIERANNSDFGLVAAVFTNDINKALTVSSAMQAGTVWINCYNA
LNAQSPFGGFKMSGNGREMGEFGLREYSEVKTVTVKIPQKNS

3D structure

PDB

6b5i Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.

Chain

Resolution

2.6 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	CU4	C	V138 G142 F188 W195 Q310 F314 C320 T321 N475 L477 N478 F483	V112 G116 F162 W169 Q284 F288 C294 T295 N449 L451 N452 F457	PDBbind-CN: -logKd/Ki=5.96,Kd=1.1uM

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

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:6b5i, PDBe:6b5i, PDBj:6b5i
PDBsum	6b5i
PubMed	29240402
UniProt	O94788\|AL1A2_HUMAN Retinal dehydrogenase 2 (Gene Name=ALDH1A2)

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