BioLiP

Receptor Information

>1nuq Chain B (length=212) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SRIPVVLLACGSFNPITNMHLRMFEVARDHLHQTGMYQVIQGIISPVNDT
YGKKDLAASHHRVAMARLALQTSDWIRVDPWESEQAQWMETVKVLRHHHS
KLLRVPELKLLCGADVLKTFQTPNLWKDAHIQEIVEKFGLVCVGRVSHDP
KGYIAESPILRMHQHNIHLAKEPVQNEISATYIRRALGQGQSVKYLIPDA
VITYIKDHGLYT

Ligand ID

DND

InChI

InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

InChIKey

SENPVEZBRZQVST-HISDBWNOSA-O

SMILES

Software	SMILES
CACTVS 3.385	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[n+]5cccc(c5)C(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6	c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O
CACTVS 3.385	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O

Formula

C21 H27 N6 O15 P2

Name

NICOTINIC ACID ADENINE DINUCLEOTIDE;
DEAMIDO-NAD+

PDB chain

1nuq Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	1nuq STRUCTURAL CHARACTERIZATION OF A HUMAN CYTOSOLIC NMN/NaMN ADENYLYLTRANSFERASE AND IMPLICATION IN HUMAN NAD BIOSYNTHESIS
Resolution	1.9 Å
Binding residue (original residue number in PDB)	C12 G13 S14 M21 H22 W90 E92 T93 C134 G135 D137 V138 L147 W148 R167
Binding residue (residue number reindexed from 1)	C10 G11 S12 M19 H20 W88 E90 T91 C112 G113 D115 V116 L125 W126 R145
Annotation score	5

Enzyme Commision number

2.7.7.1: nicotinamide-nucleotide adenylyltransferase.
2.7.7.18: nicotinate-nucleotide adenylyltransferase.

	Molecular Function
GO:0000309	nicotinamide-nucleotide adenylyltransferase activity
GO:0003824	catalytic activity
GO:0004515	nicotinate-nucleotide adenylyltransferase activity
GO:0005524	ATP binding
GO:0016779	nucleotidyltransferase activity
GO:0070566	adenylyltransferase activity

	Biological Process
GO:0009058	biosynthetic process
GO:0009165	nucleotide biosynthetic process
GO:0009435	NAD biosynthetic process
GO:0009611	response to wounding
GO:0019363	pyridine nucleotide biosynthetic process
GO:0034612	response to tumor necrosis factor

	Cellular Component
GO:0005739	mitochondrion
GO:0005759	mitochondrial matrix
GO:0030424	axon
GO:0043025	neuronal cell body

PDB	RCSB:1nuq, PDBe:1nuq, PDBj:1nuq
PDBsum	1nuq
PubMed	12574164
UniProt	Q96T66\|NMNA3_HUMAN Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 (Gene Name=NMNAT3)

[Back to BioLiP]

Structure of PDB 1nuq Chain B Binding Site BS01