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Receptor Information

>7nnq Chain D (length=344) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ATKVAVAGASGYAGGEILRLLLGHPAYADGRLRIGALTAATSAGSTLGEH
HPHLTPLAHRVVEPTEAAVLGGHDAVFLALPHGHSAVLAQQLSPETLIID
CGADFRLTDAAVWERFYGSSHAGSWPYGLPELPGARDQLRGTRRIAVPGC
YPTAALLALFPALAADLIEPAVTVVAVSGTSGAGRAATTDLLGAEVIGSA
RAYNIAGVHRHTPEIAQGLRAVTDRDVSVSFTPVLIPASRGILATCTART
RSPLSQLRAAYEKAYHAEPFIYLMPEGQLPRTGAVIGSNAAHIAVAVDED
AQTFVAIAAIDNLVKGTAGAAVQSMNLALGWPETDGLSVVGVAP

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

7nnq Chain D Residue 401 [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	7nnq A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Resolution	1.73 Å
Binding residue (original residue number in PDB)	G16 S18 G19 Y20 A21 A47 A48 T49 S50 T73 A87 L88 P89 H92 C109 C158 G190 G192 R193 L321 G324 T325
Binding residue (residue number reindexed from 1)	G8 S10 G11 Y12 A13 A39 A40 T41 S42 T65 A79 L80 P81 H84 C101 C150 G182 G184 R185 L313 G316 T317
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:7nnq, PDBe:7nnq, PDBj:7nnq
PDBsum	7nnq
PubMed
UniProt	P9WPZ9\|ARGC_MYCTU N-acetyl-gamma-glutamyl-phosphate reductase (Gene Name=argC)

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Structure of PDB 7nnq Chain D Binding Site BS01