Structure of PDB 3zu0 Chain A Binding Site BS03

Receptor Information
>3zu0 Chain A (length=562) 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
FEAYTSSNVKFN
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3zu0 Chain A Residue 1597 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zu0 The High-Resolution Crystal Structure of Periplasmic Haemophilus Influenzae Nad Nucleotidase Reveals a Novel Enzymatic Function of Human Cd73 Related to Nad Metabolism.
Resolution2.001 Å
Binding residue
(original residue number in PDB)		H127 K187 D250 H252
Binding residue
(residue number reindexed from 1)		H96 K156 D219 H221
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3zu0, PDBe:3zu0, PDBj:3zu0
PDBsum3zu0
PubMed21933152
UniProtP44569|5NTD_HAEIN NAD 5'-nucleotidase (Gene Name=HI_0206)

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