Structure of PDB 8qjo Chain B Binding Site BS04

Receptor Information

>8qjo Chain B (length=248) Species: 40324 (Stenotrophomonas maltophilia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

WGAQGHRLVAEVADARLNPTARAEVDRLLATEPDATLASIAPWADQLRAK
DPGLGRRSAGWHYVNIAEDNCHYEAPKHCRNGNCIVEALKAQSTILGDRS
LTDGERLQALKFVVHLVGDIHQPMHAGYAHDKGGNDFQLQFGNRGTNLHS
LWDSGMLNTRKLDDAGYLPLLQSQRAPKLARQSNPQRDPQTWAEASCRIS
MQAGVYPATRKIGDEYTERYRPLAEAQLRLAGENLAQLLNRVLGARLE

Ligand information

Ligand ID

5GP

InChI

InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

InChIKey

RQFCJASXJCIDSX-UUOKFMHZSA-N

SMILES

Software	SMILES
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N

Formula

C10 H14 N5 O8 P

Name

GUANOSINE-5'-MONOPHOSPHATE

PDB chain

8qjo Chain B Residue 405 [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	8qjo Substrate preference, RNA binding and active site versatility of the Stenotrophomonas maltophilia nuclease SmNuc1, explained by a structural study
Resolution	1.85 Å
Binding residue (original residue number in PDB)	R74 Y89 N91 H151 K158 G159 N161 H175
Binding residue (residue number reindexed from 1)	R48 Y63 N65 H125 K132 G133 N135 H149
Annotation score	4

External links

PDB	RCSB:8qjo, PDBe:8qjo, PDBj:8qjo
PDBsum	8qjo
PubMed

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