Structure of PDB 1uxp Chain A Binding Site BS01

Receptor Information
>1uxp Chain A (length=499) Species: 2271 (Thermoproteus tenax) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGLLEGVIKEKGGVPVYPSYLAGEWGGSGQEIEVKSPIDLATIAKVISPS
REEVERTLDVLFKRGRWSARDMPGTERLAVLRKAADIIERNLDVFAEVLV
MNAGKPKSAAVGEVKAAVDRLRLAELDLKKIGGDYIPGDWTYDTLETEGL
VRREPLGVVAAITPFNYPLFDAVNKITYSFIYGNAVVVKPSISDPLPAAM
AVKALLDAGFPPDAIALLNLPGKEAEKIVADDRVAAVSFTGSTEVGERVV
KVGGVKQYVMELGGGDPAIVLEDADLDLAADKIARGIYSYAGQRCDAIKL
VLAERPVYGKLVEEVAKRLSSLRVGDPRDPTVDVGPLISPSAVDEMMAAI
EDAVEKGGRVLAGGRRLGPTYVQPTFVEAPADRVKDMVLYKREVFAPVAL
AVEVKDLDQAIELANGRPYGLDAAVFGRDVVKIRRAVRLLEVGAIYINDM
PRHGIGYYPFGGRKKSGVFREGIGYAVEAVTAYKTIVFNYKGKGVWKYE
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1uxp Chain A Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uxp Structural Basis of Allosteric Regulation and Substrate Specificity of the Non-Phosphorylating Glyceraldehyde 3-Phosphate Dehydrogenase from Thermoproteus Tenax
Resolution2.55 Å
Binding residue
(original residue number in PDB)		R72 R79 I133 G134 R154 R155
Binding residue
(residue number reindexed from 1)		R70 R77 I131 G132 R152 R153
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) N168 K191 E263 C297 E395 E473
Catalytic site (residue number reindexed from 1) N166 K189 E261 C295 E393 E471
Enzyme Commision number 1.2.1.90: glyceraldehyde-3-phosphate dehydrogenase [NAD(P)(+)].
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008886 glyceraldehyde-3-phosphate dehydrogenase (NADP+) (non-phosphorylating) activity
GO:0008911 lactaldehyde 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:0043878 glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
GO:0050661 NADP binding
GO:0051287 NAD binding

View graph for
Molecular Function
External links
PDB RCSB:1uxp, PDBe:1uxp, PDBj:1uxp
PDBsum1uxp
PubMed15288789
UniProtO57693|GAPN_THETE NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase (Gene Name=gapN)

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