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Receptor Information

>6ya4 Chain D (length=330) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SHHHHHHMSGENLYFQGASAAIVTDTGGVDDKSFNQSAWEGLQAWGKEHN
LSKDNGFTYFQSTSEADYANNLQQAAGSYNLIFGVGFALNNAVKDAAKEH
TDLNYVLIDDVIKDQKNVASVTFADNESGYLAGVAAAKTTKTKQVGFVGG
IESEVISRFEAGFKAGVASVDPSIKVQVDYAGSFGDAAKGKTIAAAQYAA
GADIVYQVAGGTGAGVFAEAKSLNESRPENEKVWVIGVDRDQEAEGKYTS
KDGKESNFVLVSTLKQVGTTVKDISNKAERGEFPGGQVIVYSLKDKGVDL
AVTNLSEEGKKAVEDAKAKILDGSVKVPEK

Ligand ID

CTN

InChI

InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1

InChIKey

UHDGCWIWMRVCDJ-XVFCMESISA-N

SMILES

Software	SMILES
CACTVS 3.341	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.341	NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
ACDLabs 10.04	O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O

Formula

C9 H13 N3 O5

Name

4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE;
CYTIDINE

PDB chain

6ya4 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	6ya4 Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	D28 F37 D112 F187 G213 D242 K268
Binding residue (residue number reindexed from 1)	D25 F34 D109 F184 G210 D239 K265
Annotation score	1

Enzyme Commision number

	Cellular Component
GO:0005886	plasma membrane

PDB	RCSB:6ya4, PDBe:6ya4, PDBj:6ya4
PDBsum	6ya4
PubMed	33242497
UniProt	A0A0H2UPF3

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Structure of PDB 6ya4 Chain D Binding Site BS01