Structure of PDB 2pla Chain A Binding Site BS01

Receptor Information
>2pla Chain A (length=343) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APLKVCIVGSGNWGSAVAKIIGNNVKKLQKFASTVKMWVFEETVNGRKLT
DIINNDHENVKYLPGHKLPENVVAMSNLSEAVQDADLLVFVIPHQFIHRI
CDEITGRVPKKALGITLIKGIDEGPEGLKLISDIIREKMGIDISVLMGAN
IANEVAAEKFCETTIGSKVMENGLLFKELLQTPNFRITVVDDADTVELCG
ALKNIVAVGAGFCDGLRCGDNTKAAVIRLGLMEMIAFARIFCKGQVSTAT
FLESCGVADLITTCYGGRNRRVAEAFARTGKTIEELEKEMLNGQKLQGPQ
TSAEVYRILKQKGLLDKFPLFTAVYQICYESRPVQEMLSCLQS
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=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)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(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)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain2pla Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2pla Crystal structure of human glycerol-3-phosphate dehydrogenase 1-like protein.
Resolution2.51 Å
Binding residue
(original residue number in PDB)		G14 N15 W16 F43 Y65 P96 F99 R102 I121 K122 A155 R271 Q297 K298
Binding residue
(residue number reindexed from 1)		G11 N12 W13 F40 Y62 P93 F96 R99 I118 K119 A152 R268 Q294 K295
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K206 T266
Catalytic site (residue number reindexed from 1) K203 T263
Enzyme Commision number 1.1.1.8: glycerol-3-phosphate dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0017080 sodium channel regulator activity
GO:0042803 protein homodimerization activity
GO:0044325 transmembrane transporter binding
GO:0047952 glycerol-3-phosphate dehydrogenase [NAD(P)+] activity
GO:0051287 NAD binding
GO:0141152 glycerol-3-phosphate dehydrogenase (NAD+) activity
Biological Process
GO:0002027 regulation of heart rate
GO:0005975 carbohydrate metabolic process
GO:0006072 glycerol-3-phosphate metabolic process
GO:0006116 NADH oxidation
GO:0006734 NADH metabolic process
GO:0010765 positive regulation of sodium ion transport
GO:0019674 NAD metabolic process
GO:0046168 glycerol-3-phosphate catabolic process
GO:0060373 regulation of ventricular cardiac muscle cell membrane depolarization
GO:0086005 ventricular cardiac muscle cell action potential
GO:2000010 positive regulation of protein localization to cell surface
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2pla, PDBe:2pla, PDBj:2pla
PDBsum2pla
PubMed
UniProtQ8N335|GPD1L_HUMAN Glycerol-3-phosphate dehydrogenase 1-like protein (Gene Name=GPD1L)

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