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Receptor Information

>4tqg Chain A (length=297) Species: 1094892 (Megavirus chiliensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SQINDKTIMIFGGSGSLGNRLIETYINNNIIVNYSRDESKHWSMELKYKS
DKLKNIIGDIRDFEKVQQSIMRINPDIIIIAAALKHIDRCEYEINECLDT
NIKGLQNVLKVTEINRSNLSNLKAVCFVSTDKACSPVNSYGMSKAICETL
VVEKSKYIKDIKYVCVRYGNVLNFTLTHTSMTRFIMTLDDSVKLIEYAII
NGNSGEIVIPKLNSMYIKDMIELFADKYPIVITGLRSGERMYESLINDTQ
SMKTVPKGDYYHILPTYDPTIVTEEFYEYSSKQNILSKQELENYLNQ

Ligand ID

NDP

InChI

InChI=1S/C21H30N7O17P3/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/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

ACFIXJIJDZMPPO-NNYOXOHSSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
CACTVS 3.341	NC(=O)C1=CN(C=CC1)[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)C1=CN(C=CC1)[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	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N

Formula

C21 H30 N7 O17 P3

Name

NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

PDB chain

4tqg Chain A Residue 400 [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	4tqg Giant Virus Megavirus chilensis Encodes the Biosynthetic Pathway for Uncommon Acetamido Sugars.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	G12 S14 G15 S16 L17 R36 D37 D59 I60 A81 A82 A83 K85 V128 Y140 K144 Y168 G169 V171
Binding residue (residue number reindexed from 1)	G12 S14 G15 S16 L17 R36 D37 D59 I60 A81 A82 A83 K85 V128 Y140 K144 Y168 G169 V171
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0000166	nucleotide binding

PDB	RCSB:4tqg, PDBe:4tqg, PDBj:4tqg
PDBsum	4tqg
PubMed	25035429
UniProt	G5CSR9

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Structure of PDB 4tqg Chain A Binding Site BS01