Structure of PDB 3ztv Chain A Binding Site BS01

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3ztv Chain A Residue 1598 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D94 N126 H227 D250
Binding residue
(residue number reindexed from 1)		D63 N95 H196 D219
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:3ztv, PDBe:3ztv, PDBj:3ztv
PDBsum3ztv
PubMed21933152
UniProtP44569|5NTD_HAEIN NAD 5'-nucleotidase (Gene Name=HI_0206)

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