Structure of PDB 1l5l Chain A Binding Site BS01

Receptor Information
>1l5l Chain A (length=347) Species: 28901 (Salmonella enterica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLHALLRDIPAPDAEAMARTQQHIDGLLKPPGSLGRLETLAVQLAGMPGL
NGTPQVGEKAVLVMCADHGVWDEGVAVSPKIVTAIQAANMTRGTTGVCVL
AAQAGAKVHVIDVGIDAEPIPGVVNMRVARGCGNIAVGPAMSRLQAEALL
LEVSRYTCDLAQRGVTLFGVGELGMANTTPAAAMVSVFTGSDAKEVVGIG
ANLPPSRIDNKVDVVRRAIAINQPNPRDGIDVLSKVGGFDLVGMTGVMLG
AARCGLPVLLDGFLSYSAALAACQIAPAVRPYLIPSHFSAEKGARIALAH
LSMEPYLHMAMRLGEGSGAALAMPIVEAACAMFHNMGELAASNIVLP
Ligand information
Ligand ID7RP
InChIInChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10+/m1/s1
InChIKeyNICKPTPNIMHUHB-DQUBFYRCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(ncn1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1ncncc12)C(O)C3O
OpenEye OEToolkits 1.5.0c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3ncncc23
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3ncncc23
FormulaC10 H13 N4 O7 P
Name7-ALPHA-D-RIBOFURANOSYL-PURINE-5'-PHOSPHATE
ChEMBL
DrugBankDB03200
ZINCZINC000012503220
PDB chain1l5l Chain A Residue 990 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1l5l Structural studies of the L-threonine-O-3-phosphate decarboxylase (CobD) enzyme from Salmonella enterica: the apo, substrate, and product-aldimine complexes.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q88 E174 L175 G176 M177 A178 N179 T180 G202 A203 L315 E317
Binding residue
(residue number reindexed from 1)		Q86 E172 L173 G174 M175 A176 N177 T178 G200 A201 L313 E315
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E174 E317
Catalytic site (residue number reindexed from 1) E172 E315
Enzyme Commision number 2.4.2.21: nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008939 nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0009236 cobalamin biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1l5l, PDBe:1l5l, PDBj:1l5l
PDBsum1l5l
PubMed12119022
UniProtQ05603|COBT_SALTY Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase (Gene Name=cobT)

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