Structure of PDB 1nh8 Chain A Binding Site BS01

Receptor Information
>1nh8 Chain A (length=276) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLRVAVPNKGALSEPATEILAEAGYRRRTDSKDLTVIDPVNNVEFFFLRP
KDIAIYVGSGELDFGITGRDLVCDSGAQVRERLALGFGSSSFRYAAPAGR
NWTTADLAGMRIATAYPNLVRKDLATKGIEATVIRLDGAVEISVQLGVAD
AIADVVGSGRTLSQHDLVAFGEPLCDSEAVLIERAEARDQLVARVQGVVF
GQQYLMLDYDCPRSALKKATAITPGLESPTIAPLADPDWVAIRALVPRRD
VNGIMDELAAIGAKAILASDIRFCRF
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1nh8 Chain A Residue 288 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nh8 Crystal structure of ATP phosphoribosyltransferase from Mycobacterium tuberculosis
Resolution1.8 Å
Binding residue
(original residue number in PDB)		V155 G157 S158 G159 R160 T161
Binding residue
(residue number reindexed from 1)		V155 G157 S158 G159 R160 T161
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.2.17: ATP phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003879 ATP phosphoribosyltransferase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016208 AMP binding
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0000105 L-histidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1nh8, PDBe:1nh8, PDBj:1nh8
PDBsum1nh8
PubMed12511575
UniProtP9WMN1|HIS1_MYCTU ATP phosphoribosyltransferase (Gene Name=hisG)

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