Structure of PDB 3ztv Chain A Binding Site BS03

Receptor Information
>3ztv Chain A (length=565) Species: 71421 (Haemophilus influenzae Rd KW20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKAVELSILHINDHHSYLEPHETRINLNGQQTKVDIGGFSAVNAKLNKLR
KKYKNPLVLHAGDAITGTLYFTLFGGSADAAVMNAGNFHYFTLGNHEFDA
GNEGLLKLLEPLKIPVLSANVIPDKSSILYNKWKPYDIFTVDGEKIAIIG
LDTVNKTVNSSSPGKDVKFYDEIATAQIMANALKQQGINKIILLSHAGSE
KNIEIAQKVNDIDVIVTGDSHYLYGNDELRSLKLPVIYEYPLEFKNPNGE
PVFVMEGWAYSAVVGDLGVKFSPEGIASITRKIPHVLMSSHKLQVKNSEG
KWAELTGDERKKALDTLKSMKSISLDDHDAKTDKLIAKYKSEKDRLAQEI
VGVITGSAMPGGSANRIPNKAGSNPEGSIATRFIAETMYNELKTVDLTIQ
NAGGVRADILPGNVTFNDAYTFLPFGNTLYTYKMEGSLVKQVLEDAMQFA
LVDGSTGAFPYGAGIRYEANETPNAEGKRLVSVEVLNKTQQWEPIDDNKR
YLVGTNAYVAGGKDGYKTFGKLFNDPKYEGVDTYLPDAESFIKFMKKHPH
FEAYTSSNVKFNAST
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain3ztv Chain A Residue 1600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ztv The High-Resolution Crystal Structure of Periplasmic Haemophilus Influenzae Nad Nucleotidase Reveals a Novel Enzymatic Function of Human Cd73 Related to Nad Metabolism.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		N432 G434 G435 F456 N458 S486 G488 Y540 D546
Binding residue
(residue number reindexed from 1)		N401 G403 G404 F425 N427 S455 G457 Y508 D514
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D44 H46 D94 N126 H127 D130 H227 D250 H252 G393 R397 R437
Catalytic site (residue number reindexed from 1) D13 H15 D63 N95 H96 D99 H196 D219 H221 G362 R366 R406
Enzyme Commision number 3.1.3.5: 5'-nucleotidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008253 5'-nucleotidase activity
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009166 nucleotide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ztv, PDBe:3ztv, PDBj:3ztv
PDBsum3ztv
PubMed21933152
UniProtP44569|5NTD_HAEIN NAD 5'-nucleotidase (Gene Name=HI_0206)

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