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Receptor Information

>5ahi Chain A (length=232) Species: 28901 (Salmonella enterica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MIIPALNLIDGTVVRLRDYGNDPLPRLQDYAAQGAGVLHLVDLTGAKDPA
KRQIPLIKTLVAGVNVPVQVGGGVRTEEDVAALLKAGVARVVIGSTAVKS
PDVVKGWFERFGAQALVLALDVRIDEHGTKQVAVSGWQENSGVSLEQLVE
TYLPVGLKHVLCTDIRDGAGSVSLYEEVCARYPQIAFQSSGGIGDIDDIA
ALRGTGVRGVIVGRALLEGKFTVKEAIQCWQN

Ligand ID

GUO

InChI

InChI=1S/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1

InChIKey

QOUSHGMTBIIAHR-KEOHHSTQSA-N

SMILES

Software	SMILES
CACTVS 3.385	NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1N=CN[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N=CNC3C(C(C(O3)COP(=O)(O)O)O)O)C(=O)N
OpenEye OEToolkits 1.7.6	c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N
CACTVS 3.385	NC(=O)c1ncn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1N=CN[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O

Formula

C15 H25 N5 O15 P2

Name

[(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

PDB chain

5ahi Chain A Residue 1246 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	5ahi Structure and Mechanism of Hisa from Salmonella Enterica
Resolution	1.999 Å
Binding residue (original residue number in PDB)	G81 G102 S103 A127
Binding residue (residue number reindexed from 1)	G73 G94 S95 A119
Annotation score	5

Catalytic site (original residue number in PDB)	N7 D129
Catalytic site (residue number reindexed from 1)	N7 D121
Enzyme Commision number	5.3.1.16: 1-(5-phosphoribosyl)-5- [(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide isomerase.

	Molecular Function
GO:0003949	1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide isomerase activity
GO:0016853	isomerase activity

	Biological Process
GO:0000105	L-histidine biosynthetic process
GO:0000162	tryptophan biosynthetic process

	Cellular Component
GO:0005737	cytoplasm

PDB	RCSB:5ahi, PDBe:5ahi, PDBj:5ahi
PDBsum	5ahi
PubMed
UniProt	P10372\|HIS4_SALTY 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase (Gene Name=hisA)

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Structure of PDB 5ahi Chain A Binding Site BS01