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Receptor Information

>5izd Chain C (length=484) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAE
DAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEE
VDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNF
PAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNF
ITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGG
KAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSR
FVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQ
PRNGYFFLPTIIGDQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYG
LASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGE
GSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLF

Ligand ID

NAP

InChI

InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

XJLXINKUBYWONI-NNYOXOHSSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341	NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0	c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N

Formula

C21 H28 N7 O17 P3

Name

NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE

PDB chain

5izd Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5izd Structure of wild-type glyceraldehyde dehydrogenase from Thermoplasma acidophilum in complex with NADP
Resolution	2.05 Å
Binding residue (original residue number in PDB)	L145 T146 W148 K172 S174 S175 R204 G205 G209 S226 T229
Binding residue (residue number reindexed from 1)	L145 T146 W148 K172 S174 S175 R204 G205 G209 S226 T229
Annotation score	4

Catalytic site (original residue number in PDB)	N149 K172 E247 C281 E381 E458
Catalytic site (residue number reindexed from 1)	N149 K172 E247 C281 E373 E450
Enzyme Commision number	1.2.1.89: D-glyceraldehyde dehydrogenase (NADP(+)).

	Molecular Function
GO:0004777	succinate-semialdehyde 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:0042803	protein homodimerization activity
GO:0043796	glyceraldehyde dehydrogenase (NADP+) activity

	Biological Process
GO:0006096	glycolytic process
GO:0009255	Entner-Doudoroff pathway through 6-phosphogluconate
GO:0009450	gamma-aminobutyric acid catabolic process
GO:0051289	protein homotetramerization

	Cellular Component
GO:0005829	cytosol

PDB	RCSB:5izd, PDBe:5izd, PDBj:5izd
PDBsum	5izd
PubMed
UniProt	Q9HK01\|GADH_THEAC D-glyceraldehyde dehydrogenase (NADP(+)) (Gene Name=Ta0809)

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Structure of PDB 5izd Chain C Binding Site BS01