Structure of PDB 4cb5 Chain A Binding Site BS01

Receptor Information

>4cb5 Chain A (length=162) Species: 365107 (Influenza A virus (A/duck/Shantou/4610/2003(H5N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SFSFGGFTFKRTSGSSVKKEEEVLTGNLQTLKIRVHEGYEEFTMVGRRAT
AILRKATRRLIQLIVSGRDEQSIAEAIIVAMVFSQEDCMIKAVRGDLNFV
NRANQRLNPMHQLLRHFQKDAKVLFQNWGIEPIDNVMGMIGILPDMTPST
EMSLRGVRVSKM

Ligand information

Ligand ID

93G

InChI

InChI=1S/C15H14N6O4/c1-20-6-21(13-11(20)14(25)19-15(17)18-13)5-10(23)7-2-3-9(22)8(4-7)12(16)24/h2-4,6H,5H2,1H3,(H5-,16,17,18,19,22,23,24,25)/p+1

InChIKey

RSZNPUKMOKHZOH-UHFFFAOYSA-O

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)N)O
ACDLabs 12.01	O=C(N)c1c(O)ccc(c1)C(=O)C[n+]3c2N=C(NC(=O)c2n(c3)C)N
CACTVS 3.385	Cn1c[n+](CC(=O)c2ccc(O)c(c2)C(N)=O)c3N=C(N)NC(=O)c13

Formula

C15 H15 N6 O4

Name

9-N-(3-CARBOXY-4-HYDROXYPHENYL)KETOMETHYL-7-N-METHYLGUANINE

PDB chain

4cb5 Chain A Residue 1484 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	4cb5 New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain
Resolution	1.5 Å
Binding residue (original residue number in PDB)	F323 S324 H357 E361 F363 K376 F404
Binding residue (residue number reindexed from 1)	F2 S3 H36 E40 F42 K55 F83
Annotation score	1
Binding affinity	MOAD: Kd=13uM

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:4cb5, PDBe:4cb5, PDBj:4cb5
PDBsum	4cb5
PubMed	24134208
UniProt	Q2LG68

[Back to BioLiP]