Structure of PDB 1z0s Chain A Binding Site BS02

Receptor Information

>1z0s Chain A (length=249) Species: 2234 (Archaeoglobus fulgidus)

MRAAVVYKTDGHVKRIEEALKRLEVEVELFNQPSEELENFDFIVSVGGDG
TILRILQKLKRCPPIFGINTGRVGLLTHASPENFEVELKKAVEKFEVERF
PRVSCSAMPDVLALNEIAVLSRKPAKMIDVALRVDGVEVDRIRCDGFIVA
TQIGSTGYAFSAGGPVVEPYLECFILIPIAPFRFGWKPYVVSMERKIEVI
AEKAIVVADGQKSVDFDGEITIEKSEFPAVFFKNEKRFRNLFGKVRSIG

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 1z0s Chain A Residue 3953

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1z0s Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): K8 G48 G50 T51 R54 R72
• Binding residue (residue number reindexed from 1): K8 G48 G50 T51 R54 R72
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E96 C105
• Catalytic site (residue number reindexed from 1): E96 C105
• Enzyme Commision number: 2.7.1.23: NAD(+) kinase.

Gene Ontology

Molecular Function

• GO:0003951 NAD+ kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0016773 phosphotransferase activity, alcohol group as acceptor
• GO:0046872 metal ion binding
• GO:0051287 NAD binding

Biological Process

• GO:0006741 NADP biosynthetic process
• GO:0016310 phosphorylation
• GO:0019674 NAD metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1z0s, PDBe:1z0s, PDBj:1z0s
• PDBsum: 1z0s
• PubMed: 16242716
• UniProt: O30297|NADK_ARCFU NAD kinase (Gene Name=nadK)