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Receptor Information

>2i3g Chain A (length=347) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VANATKVAVAGASGYAGGEILRLLLGHPAYADGRLRIGALTAATSAGSTL
GEHHPHLTPLAHRVVEPTEAAVLGGHDAVFLALPHGHSAVLAQQLSPETL
IIDCGADFRLTDAAVWERFYGSSHAGSWPYGLPELPGARDQLRGTRRIAV
PGCYPTAALLALFPALAADLIEPAVTVVAVSGTSGAGRAATTDLLGAEVI
GSARAYNIAGVHRHTPEIAQGLRAVTDRDVSVSFTPVLIPASRGILATCT
ARTRSPLSQLRAAYEKAYHAEPFIYLMPEGQLPRTGAVIGSNAAHIAVAV
DEDAQTFVAIAAIDNLVKGTAGAAVQSMNLALGWPETDGLSVVGVAP

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

2i3g Chain A Residue 500 [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	2i3g Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
Resolution	1.85 Å
Binding residue (original residue number in PDB)	G16 S18 G19 Y20 A21 A47 A48 T49 S50 T73 A87 L88 P89 C109 G190 G192 R193 L321 T325
Binding residue (residue number reindexed from 1)	G11 S13 G14 Y15 A16 A42 A43 T44 S45 T68 A82 L83 P84 C104 G185 G187 R188 L316 T320
Annotation score	4

Enzyme Commision number

1.2.1.38: N-acetyl-gamma-glutamyl-phosphate reductase.

	Molecular Function
GO:0003942	N-acetyl-gamma-glutamyl-phosphate reductase activity
GO:0005515	protein binding
GO:0016491	oxidoreductase activity
GO:0016620	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0051287	NAD binding
GO:0070401	NADP+ binding

	Biological Process
GO:0006526	L-arginine biosynthetic process

	Cellular Component
GO:0005737	cytoplasm

PDB	RCSB:2i3g, PDBe:2i3g, PDBj:2i3g
PDBsum	2i3g
PubMed	17316682
UniProt	P9WPZ9\|ARGC_MYCTU N-acetyl-gamma-glutamyl-phosphate reductase (Gene Name=argC)

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Structure of PDB 2i3g Chain A Binding Site BS01